1-[5-(3-chlorophenyl)-1,3-oxazol-4-yl]ethanone

C11H8ClNO2 — CID 123160413

IUPAC1-[5-(3-chlorophenyl)-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1ncoc1-c1cccc(Cl)c1
InChIInChI=1S/C11H8ClNO2/c1-7(14)10-11(15-6-13-10)8-3-2-4-9(12)5-8/h2-6H,1H3
InChIKeyHFAKWYRBCAZPOJ-UHFFFAOYSA-N
MW221.64 g/mol
LogP3.20
Rot. Bonds2

About 1-[5-(3-chlorophenyl)-1,3-oxazol-4-yl]ethanone

1-[5-(3-chlorophenyl)-1,3-oxazol-4-yl]ethanone (PubChem CID 123160413) has the molecular formula C11H8ClNO2 and a molecular weight of 221.64 g/mol. Its IUPAC name is 1-[5-(3-chlorophenyl)-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3-chlorophenyl)-1,3-oxazol-4-yl]ethanone
PubChem CID123160413
Molecular FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
Exact Mass221.02
IUPAC Name1-[5-(3-chlorophenyl)-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1ncoc1-c1cccc(Cl)c1
InChIInChI=1S/C11H8ClNO2/c1-7(14)10-11(15-6-13-10)8-3-2-4-9(12)5-8/h2-6H,1H3
InChIKeyHFAKWYRBCAZPOJ-UHFFFAOYSA-N
XLogP3.20
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 2739761
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963781
5-(3-chlorophenyl)-N-[(2R)-2-phenylpropyl]-1,3-oxazole-4-carboxamide
CID 92711313
5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963803
5-(3-chlorophenyl)-N-(2,5-difluorophenyl)-1,3-oxazole-4-carboxamide
CID 3232315
5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963785
tert-butyl-[2-[[5-(3-chlorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamic acid
CID 70365322
N-(3-chlorophenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963631
N-(3-chloro-4-cyanophenyl)-5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 3232312
4-(chloromethyl)-5-(3-chlorophenyl)-1,3-oxazole
CID 79154021
[4-(3-chlorophenyl)piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone
CID 11360631
5-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile
CID 2739769

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chlorophenyl)-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 1-[5-(3-chlorophenyl)-1,3-oxazol-4-yl]ethanone (CID 123160413) is 1-[5-(3-chlorophenyl)-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(3-chlorophenyl)-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(3-chlorophenyl)-1,3-oxazol-4-yl]ethanone is CC(=O)c1ncoc1-c1cccc(Cl)c1.
What is the InChIKey of 1-[5-(3-chlorophenyl)-1,3-oxazol-4-yl]ethanone?
The InChIKey is HFAKWYRBCAZPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2/c1-7(14)10-11(15-6-13-10)8-3-2-4-9(12)5-8/h2-6H,1H3.
What are the key properties of 1-[5-(3-chlorophenyl)-1,3-oxazol-4-yl]ethanone?
1-[5-(3-chlorophenyl)-1,3-oxazol-4-yl]ethanone has a molecular weight of 221.64 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chlorophenyl)-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 123160413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).