[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-phenylmethanone

C20H12ClNO2 — CID 122383206

IUPAC[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1-c1nc2cc(Cl)ccc2o1
InChIInChI=1S/C20H12ClNO2/c21-14-10-11-18-17(12-14)22-20(24-18)16-9-5-4-8-15(16)19(23)13-6-2-1-3-7-13/h1-12H
InChIKeyIFCFHMMSLQALMP-UHFFFAOYSA-N
MW333.77 g/mol
LogP5.38
Rot. Bonds3

About [2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-phenylmethanone

[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-phenylmethanone (PubChem CID 122383206) has the molecular formula C20H12ClNO2 and a molecular weight of 333.77 g/mol. Its IUPAC name is [2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-phenylmethanone
PubChem CID122383206
Molecular FormulaC20H12ClNO2
Molecular Weight333.77 g/mol
Exact Mass333.06
IUPAC Name[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1-c1nc2cc(Cl)ccc2o1
InChIInChI=1S/C20H12ClNO2/c21-14-10-11-18-17(12-14)22-20(24-18)16-9-5-4-8-15(16)19(23)13-6-2-1-3-7-13/h1-12H
InChIKeyIFCFHMMSLQALMP-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

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Related Compounds

2-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)benzoic acid
CID 82719722
methyl (E)-3-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]prop-2-enoate
CID 139188963
N-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-phenylpropanamide
CID 4649343
2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4623545
5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole
CID 95911053
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide
CID 7537272
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methoxybenzamide
CID 1367030
3-(5-chloro-1,3-benzoxazol-2-yl)naphthalen-2-amine
CID 28896820
3-(5-chloro-1,3-benzoxazol-2-yl)benzene-1,2-diamine
CID 168953701
2-(2,4-dichlorophenyl)-1,3-benzoxazole-5-carbonyl chloride
CID 91681335
1-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]ethanone
CID 95474684
(4-chlorophenyl)-(2-phenyl-1,3-benzoxazol-6-yl)methanone
CID 142481869

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-phenylmethanone?
The IUPAC name of [2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-phenylmethanone (CID 122383206) is [2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-phenylmethanone?
The canonical SMILES for [2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1-c1nc2cc(Cl)ccc2o1.
What is the InChIKey of [2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-phenylmethanone?
The InChIKey is IFCFHMMSLQALMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClNO2/c21-14-10-11-18-17(12-14)22-20(24-18)16-9-5-4-8-15(16)19(23)13-6-2-1-3-7-13/h1-12H.
What are the key properties of [2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-phenylmethanone?
[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-phenylmethanone 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 [2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-phenylmethanone is sourced from PubChem (CID 122383206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).