Isoxazole, 5-(7-(4-((4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl)phenoxy)heptyl)-3-methyl-

Base Information

• Chemical Name: Isoxazole, 5-(7-(4-((4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl)phenoxy)heptyl)-3-methyl-
• CAS No.: 112270-43-6
• Molecular Formula: C23H32 N2 O3
• Molecular Weight: 384.5118
• ChEMBL ID: CHEMBL2111195
• DSSTox Substance ID: DTXSID40920713
• Wikidata: Q82893395
• Mol file: 112270-43-6.mol

Synonyms:112270-43-6;Isoxazole, 5-(7-(4-((4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl)phenoxy)heptyl)-3-methyl-;(S)-5-(7-(4-(4-Isopropyl-4,5-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole;Isoxazole, 5-[7-[4-[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]phenoxy]heptyl]-3-methyl-;SCHEMBL9863087;CHEMBL2111195;DTXSID40920713;5-[7-[4-[(4S)-4-isopropyl-4,5-dihydrooxazol-2-yl]phenoxy]heptyl]-3-methyl-isoxazole;3-Methyl-5-(7-{4-[4-(propan-2-yl)-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)-1,2-oxazole

Chemical Property of Isoxazole, 5-(7-(4-((4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl)phenoxy)heptyl)-3-methyl-

Chemical Property:

• Vapor Pressure: 3.16E-11mmHg at 25°C
• Boiling Point: 541.1°Cat760mmHg
• Flash Point: 281.1°C
• Density: 1.11g/cm³
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 384.24129289
• Heavy Atom Count: 28
• Complexity: 475

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NOC(=C1)CCCCCCCOC2=CC=C(C=C2)C3=NC(CO3)C(C)C
• Isomeric SMILES: CC1=NOC(=C1)CCCCCCCOC2=CC=C(C=C2)C3=N[C@H](CO3)C(C)C