(4-chlorophenyl)-(2-phenyl-1,3-benzoxazol-6-yl)methanone

C20H12ClNO2 — CID 142481869

IUPAC(4-chlorophenyl)-(2-phenyl-1,3-benzoxazol-6-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc2nc(-c3ccccc3)oc2c1
InChIInChI=1S/C20H12ClNO2/c21-16-9-6-13(7-10-16)19(23)15-8-11-17-18(12-15)24-20(22-17)14-4-2-1-3-5-14/h1-12H
InChIKeyOWJRJCVNZYOCQO-UHFFFAOYSA-N
MW333.77 g/mol
LogP5.38
Rot. Bonds3

About (4-chlorophenyl)-(2-phenyl-1,3-benzoxazol-6-yl)methanone

(4-chlorophenyl)-(2-phenyl-1,3-benzoxazol-6-yl)methanone (PubChem CID 142481869) has the molecular formula C20H12ClNO2 and a molecular weight of 333.77 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-phenyl-1,3-benzoxazol-6-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-phenyl-1,3-benzoxazol-6-yl)methanone
PubChem CID142481869
Molecular FormulaC20H12ClNO2
Molecular Weight333.77 g/mol
Exact Mass333.06
IUPAC Name(4-chlorophenyl)-(2-phenyl-1,3-benzoxazol-6-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc2nc(-c3ccccc3)oc2c1
InChIInChI=1S/C20H12ClNO2/c21-16-9-6-13(7-10-16)19(23)15-8-11-17-18(12-15)24-20(22-17)14-4-2-1-3-5-14/h1-12H
InChIKeyOWJRJCVNZYOCQO-UHFFFAOYSA-N
XLogP5.38
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.77
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-chlorophenyl)-(2-phenyl-1,3-benzoxazol-6-yl)methanone 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-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid
CID 81434008
3-methyl-1-(2-phenyl-1,3-benzoxazol-6-yl)butan-1-one
CID 67466384
2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 167448203
(2-phenyl-1,3-benzoxazol-6-yl) acetate
CID 15662262
2-(3,4-difluorophenyl)-1,3-benzoxazole-6-carboxylic acid
CID 59626001
2-(4-aminophenyl)-1,3-benzoxazole-6-carboxylic acid
CID 82363794
3-(2-phenyl-1,3-benzoxazole-6-carbonyl)pentanoic acid
CID 67466234
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide
CID 67331843
(3R)-3-methoxy-4-oxo-4-(2-phenyl-1,3-benzoxazol-6-yl)butanoic acid
CID 67464500
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
2-(4-chlorophenyl)-1,3-benzoxazole-6-carbaldehyde
CID 12703739

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-phenyl-1,3-benzoxazol-6-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(2-phenyl-1,3-benzoxazol-6-yl)methanone (CID 142481869) is (4-chlorophenyl)-(2-phenyl-1,3-benzoxazol-6-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(2-phenyl-1,3-benzoxazol-6-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(2-phenyl-1,3-benzoxazol-6-yl)methanone is O=C(c1ccc(Cl)cc1)c1ccc2nc(-c3ccccc3)oc2c1.
What is the InChIKey of (4-chlorophenyl)-(2-phenyl-1,3-benzoxazol-6-yl)methanone?
The InChIKey is OWJRJCVNZYOCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClNO2/c21-16-9-6-13(7-10-16)19(23)15-8-11-17-18(12-15)24-20(22-17)14-4-2-1-3-5-14/h1-12H.
What are the key properties of (4-chlorophenyl)-(2-phenyl-1,3-benzoxazol-6-yl)methanone?
(4-chlorophenyl)-(2-phenyl-1,3-benzoxazol-6-yl)methanone has a molecular weight of 333.77 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-phenyl-1,3-benzoxazol-6-yl)methanone is sourced from PubChem (CID 142481869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).