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N-[[3-(3-Fluoro-4-(piperazin-1-yl)phenyl)-2-oxooxazolidin-5-yl]methyl]acetamide

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Name

N-[[3-(3-Fluoro-4-(piperazin-1-yl)phenyl)-2-oxooxazolidin-5-yl]methyl]acetamide

EINECS N/A
CAS No. 154590-43-9 Density 1.274 g/cm3
PSA 73.91000 LogP 1.54630
Solubility N/A Melting Point N/A
Formula C16H21FN4O3 Boiling Point 587.321 °C at 760 mmHg
Molecular Weight 336.366 Flash Point 309.001 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 154590-43-9 (N-[[3-(3-Fluoro-4-(piperazin-1-yl)phenyl)-2-oxooxazolidin-5-yl]methyl]acetamide) Hazard Symbols N/A
Synonyms

N-[[3-(3-Fluoro-4-(piperazin-1-yl)phenyl)-2-oxooxazolidin-5-yl]methyl]acetamide;

 

N-[[3-(3-Fluoro-4-(piperazin-1-yl)phenyl)-2-oxooxazolidin-5-yl]methyl]acetamide Specification

The systematic name of N-[[3-(3-Fluoro-4-(piperazin-1-yl)phenyl)-2-oxooxazolidin-5-yl]methyl]acetamide is N-({3-[3-Fluoro-4-(piperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide. With the CAS registry number 154590-43-9, it is also named as Acetamide,N-[[3-[3-fluoro-4-(1-piperazinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]-. In addition, its molecular formula is C16H21FN4O3 and its molecular weight is 336.36. 

The other characteristics of N-[[3-(3-Fluoro-4-(piperazin-1-yl)phenyl)-2-oxooxazolidin-5-yl]methyl]acetamide can be summarized as: (1)ACD/LogP: -0.26; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 2; (7)H bond acceptors: 7; (8)H bond donors: 2; (9)Freely Rotating Bonds: 4; (10)Polar Surface Area: 73.91 Å2; (11)Index of Refraction: 1.555; (12)Molar Refractivity: 84.712 cm3; (13)Molar Volume: 264.028 cm3; (14)Polarizability: 33.583×10-24cm3; (15)Surface Tension: 46.297 dyne/cm; (16)Density: 1.274 g/cm3; (17)Flash Point: 309.001 °C; (18)Enthalpy of Vaporization: 87.697 kJ/mol; (19)Boiling Point: 587.321 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(C)NCC1CN(C(=O)O1)c3ccc(N2CCNCC2)c(F)c3
(2)InChI:InChI=1/C16H21FN4O3/c1-11(22)19-9-13-10-21(16(23)24-13)12-2-3-15(14(17)8-12)20-6-4-18-5-7-20/h2-3,8,13,18H,4-7,9-10H2,1H3,(H,19,22)
(3)InChIKey:DSRPYQXHWUDRBP-UHFFFAOYAA
(4)Std. InChI:InChI=1S/C16H21FN4O3/c1-11(22)19-9-13-10-21(16(23)24-13)12-2-3-15(14(17)8-12)20-6-4-18-5-7-20/h2-3,8,13,18H,4-7,9-10H2,1H3,(H,19,22)
(5)Std. InChIKey:DSRPYQXHWUDRBP-UHFFFAOYSA-N

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