(2-chlorophenyl)-(1,2-oxazol-3-yl)methanone

C10H6ClNO2 — CID 12013130

IUPAC(2-chlorophenyl)-(1,2-oxazol-3-yl)methanone
SMILESO=C(c1ccon1)c1ccccc1Cl
InChIInChI=1S/C10H6ClNO2/c11-8-4-2-1-3-7(8)10(13)9-5-6-14-12-9/h1-6H
InChIKeyMWXNILNKIYBXBH-UHFFFAOYSA-N
MW207.62 g/mol
LogP2.56
Rot. Bonds2

About (2-chlorophenyl)-(1,2-oxazol-3-yl)methanone

(2-chlorophenyl)-(1,2-oxazol-3-yl)methanone (PubChem CID 12013130) has the molecular formula C10H6ClNO2 and a molecular weight of 207.62 g/mol. Its IUPAC name is (2-chlorophenyl)-(1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(1,2-oxazol-3-yl)methanone
PubChem CID12013130
Molecular FormulaC10H6ClNO2
Molecular Weight207.62 g/mol
Exact Mass207.01
IUPAC Name(2-chlorophenyl)-(1,2-oxazol-3-yl)methanone
SMILESO=C(c1ccon1)c1ccccc1Cl
InChIInChI=1S/C10H6ClNO2/c11-8-4-2-1-3-7(8)10(13)9-5-6-14-12-9/h1-6H
InChIKeyMWXNILNKIYBXBH-UHFFFAOYSA-N
XLogP2.56
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.62
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-chlorophenyl)-(1,2-oxazol-3-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

(2-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone
CID 105081414
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone
CID 167484647
[4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 75388459
(3-bromofuran-2-yl)-(2-chlorophenyl)methanone
CID 63943016
(2-chlorophenyl)-(3-chloro-2-pyridinyl)methanone
CID 103443193
N-(2-chloro-1-phenylethyl)-1,2-oxazole-3-carboxamide
CID 114300229
2-methyl-1-(1,2-oxazol-3-yl)propan-1-one
CID 134296437
(2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159787
N-(1-chloro-3-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 113272358
2-chloroacetyl chloride;1,2-dichlorobenzene
CID 174927592
(2-chlorophenyl)-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]methanone
CID 142342439

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(1,2-oxazol-3-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(1,2-oxazol-3-yl)methanone (CID 12013130) is (2-chlorophenyl)-(1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(1,2-oxazol-3-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(1,2-oxazol-3-yl)methanone is O=C(c1ccon1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(1,2-oxazol-3-yl)methanone?
The InChIKey is MWXNILNKIYBXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2/c11-8-4-2-1-3-7(8)10(13)9-5-6-14-12-9/h1-6H.
What are the key properties of (2-chlorophenyl)-(1,2-oxazol-3-yl)methanone?
(2-chlorophenyl)-(1,2-oxazol-3-yl)methanone has a molecular weight of 207.62 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 12013130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).