2-(3-chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one

C12H10ClNO2 — CID 6488951

IUPAC2-(3-chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one
SMILESCC(C)=C1N=C(c2cccc(Cl)c2)OC1=O
InChIInChI=1S/C12H10ClNO2/c1-7(2)10-12(15)16-11(14-10)8-4-3-5-9(13)6-8/h3-6H,1-2H3
InChIKeyUSUUZQVXEWGWDR-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.94
Rot. Bonds1

About 2-(3-chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one

2-(3-chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one (PubChem CID 6488951) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one
PubChem CID6488951
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name2-(3-chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one
SMILESCC(C)=C1N=C(c2cccc(Cl)c2)OC1=O
InChIInChI=1S/C12H10ClNO2/c1-7(2)10-12(15)16-11(14-10)8-4-3-5-9(13)6-8/h3-6H,1-2H3
InChIKeyUSUUZQVXEWGWDR-UHFFFAOYSA-N
XLogP2.94
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-2-(3-chlorophenyl)-4-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
CID 689267
2-(4-methoxyphenyl)-4-propan-2-ylidene-1,3-oxazol-5-one
CID 6488949
2-(3-chlorophenyl)-4-[(3,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one
CID 2826490
2-(3-chlorophenyl)-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2826478
(4Z)-4-[(3-chlorophenyl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one
CID 2689805
(4E)-4-[(5-bromothiophen-3-yl)methylidene]-2-(3-chlorophenyl)-1,3-oxazol-5-one
CID 47024923
(4Z)-4-butan-2-ylidene-2-phenyl-1,3-oxazol-5-one
CID 13148826
N-[4-[(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 26496643
4-[(3-chlorophenyl)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
CID 3966448
4-[(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzonitrile
CID 26496649
(4E)-2-(3-chlorophenyl)-4-[(4-methoxy-3-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 108937218
4-[chloro-(4-chlorophenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 833335

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one?
The IUPAC name of 2-(3-chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one (CID 6488951) is 2-(3-chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one.
What is the SMILES notation for 2-(3-chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one?
The canonical SMILES for 2-(3-chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one is CC(C)=C1N=C(c2cccc(Cl)c2)OC1=O.
What is the InChIKey of 2-(3-chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one?
The InChIKey is USUUZQVXEWGWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-7(2)10-12(15)16-11(14-10)8-4-3-5-9(13)6-8/h3-6H,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one?
2-(3-chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one has a molecular weight of 235.67 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one is sourced from PubChem (CID 6488951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).