[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone

C17H12ClNO2 — CID 2805173

IUPAC[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)c1ccccc1
InChIInChI=1S/C17H12ClNO2/c1-11-15(17(20)12-7-3-2-4-8-12)16(19-21-11)13-9-5-6-10-14(13)18/h2-10H,1H3
InChIKeyVFCULKCUMBHRKF-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.53
Rot. Bonds3

About [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone (PubChem CID 2805173) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone
PubChem CID2805173
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)c1ccccc1
InChIInChI=1S/C17H12ClNO2/c1-11-15(17(20)12-7-3-2-4-8-12)16(19-21-11)13-9-5-6-10-14(13)18/h2-10H,1H3
InChIKeyVFCULKCUMBHRKF-UHFFFAOYSA-N
XLogP4.53
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride
CID 78212
Methyl 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate
CID 619436
5-Methyl-3,4-diphenyl-isoxazole
CID 9991673
3-(p-Chlorophenyl)-5-phenylisoxazole
CID 279128
3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-methylpiperazinyl ketone
CID 798832
3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide
CID 2780924
5-Methyl-3-phenylisoxazole-4-carbonyl chloride
CID 85624
4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-
CID 90203
4-Isoxazolecarbonyl chloride, 3-(2-chlorophenyl)-5-methyl-
CID 96590
3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride
CID 2736581
N-[5-Methyl-3-O-tolyl-isoxazole-4-carboxylic acid amide] boronic acid
CID 2815
3,4-Diphenyl-5-ethylisoxazole
CID 10377376

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone?
The IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone (CID 2805173) is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone.
What is the SMILES notation for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone?
The canonical SMILES for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone is Cc1onc(-c2ccccc2Cl)c1C(=O)c1ccccc1.
What is the InChIKey of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone?
The InChIKey is VFCULKCUMBHRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c1-11-15(17(20)12-7-3-2-4-8-12)16(19-21-11)13-9-5-6-10-14(13)18/h2-10H,1H3.
What are the key properties of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone?
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone has a molecular weight of 297.74 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone is sourced from PubChem (CID 2805173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).