[5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol

C16H12ClNO2 — CID 131868430

IUPAC[5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2ccccc2)noc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNO2/c17-13-8-6-12(7-9-13)16-14(10-19)15(18-20-16)11-4-2-1-3-5-11/h1-9,19H,10H2
InChIKeyVJUWQCCTCUQDNU-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.15
Rot. Bonds3

About [5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol

[5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol (PubChem CID 131868430) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol
PubChem CID131868430
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name[5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2ccccc2)noc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNO2/c17-13-8-6-12(7-9-13)16-14(10-19)15(18-20-16)11-4-2-1-3-5-11/h1-9,19H,10H2
InChIKeyVJUWQCCTCUQDNU-UHFFFAOYSA-N
XLogP4.15
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867191
[5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866878
[5-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868413
[5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 131868158
[3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 131866937
[3-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867227
[5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868442
[3-(4-chlorophenyl)-5-(2-phenylethenyl)-1,2-oxazol-4-yl]methanol
CID 66643815
[5-(4-chlorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866897
[3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868204
[3-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867826
[5-(3-chlorophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867906

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol (CID 131868430) is [5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol is OCc1c(-c2ccccc2)noc1-c1ccc(Cl)cc1.
What is the InChIKey of [5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol?
The InChIKey is VJUWQCCTCUQDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c17-13-8-6-12(7-9-13)16-14(10-19)15(18-20-16)11-4-2-1-3-5-11/h1-9,19H,10H2.
What are the key properties of [5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol?
[5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol has a molecular weight of 285.73 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131868430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).