4-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one

C16H10ClNO2 — CID 171131683

IUPAC4-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)C1=Cc1ccccc1Cl
InChIInChI=1S/C16H10ClNO2/c17-14-9-5-4-8-12(14)10-13-15(18-20-16(13)19)11-6-2-1-3-7-11/h1-10H
InChIKeyKXYHVEWSVRYSPE-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.68
Rot. Bonds2

About 4-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one

4-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one (PubChem CID 171131683) has the molecular formula C16H10ClNO2 and a molecular weight of 283.71 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
PubChem CID171131683
Molecular FormulaC16H10ClNO2
Molecular Weight283.71 g/mol
Exact Mass283.04
IUPAC Name4-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)C1=Cc1ccccc1Cl
InChIInChI=1S/C16H10ClNO2/c17-14-9-5-4-8-12(14)10-13-15(18-20-16(13)19)11-6-2-1-3-7-11/h1-10H
InChIKeyKXYHVEWSVRYSPE-UHFFFAOYSA-N
XLogP3.68
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

4-[(2,6-dichlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 2726243
4-[(2-chlorophenyl)methylidene]-3-(3-nitrophenyl)-1,2-oxazol-5-one
CID 171131867
4-benzylidene-3-(4-phenylphenyl)-1,2-oxazol-5-one
CID 4268049
4-[(2-methoxyphenyl)methylidene]-3-(4-phenylphenyl)-1,2-oxazol-5-one
CID 3567474
(4E)-4-benzylidene-3-(4-chlorophenyl)-1,2-oxazol-5-one
CID 678394
4-[(2,5-dimethylphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 3344955
3-(4-chlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,2-oxazol-5-one
CID 3736691
(4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 10641700
3-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,2-oxazol-5-one
CID 171131858
(4Z)-4-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126087138
(4Z)-3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one
CID 13199479
(4Z)-4-[(3-chloro-4-prop-2-ynoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126085190

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one?
The IUPAC name of 4-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one (CID 171131683) is 4-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one.
What is the SMILES notation for 4-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one?
The canonical SMILES for 4-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one is O=C1ON=C(c2ccccc2)C1=Cc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one?
The InChIKey is KXYHVEWSVRYSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO2/c17-14-9-5-4-8-12(14)10-13-15(18-20-16(13)19)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 4-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one?
4-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one has a molecular weight of 283.71 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one is sourced from PubChem (CID 171131683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).