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

C16H10ClNO2 — CID 5378189

IUPAC(4Z)-4-[(4-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)/C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H10ClNO2/c17-13-8-6-11(7-9-13)10-14-15(18-20-16(14)19)12-4-2-1-3-5-12/h1-10H/b14-10-
InChIKeyIUHJZGGSXVWJMS-UVTDQMKNSA-N
MW283.71 g/mol
LogP3.68
Rot. Bonds2

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

(4Z)-4-[(4-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one (PubChem CID 5378189) has the molecular formula C16H10ClNO2 and a molecular weight of 283.71 g/mol. Its IUPAC name is (4Z)-4-[(4-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(4-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
PubChem CID5378189
Molecular FormulaC16H10ClNO2
Molecular Weight283.71 g/mol
Exact Mass283.04
IUPAC Name(4Z)-4-[(4-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)/C1=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H10ClNO2/c17-13-8-6-11(7-9-13)10-14-15(18-20-16(14)19)12-4-2-1-3-5-12/h1-10H/b14-10-
InChIKeyIUHJZGGSXVWJMS-UVTDQMKNSA-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

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CID 75422059
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CID 2803461
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CID 5390684
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CID 5391633
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CID 685393
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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one?
The IUPAC name of (4Z)-4-[(4-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one (CID 5378189) is (4Z)-4-[(4-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(4-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(4-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one is O=C1ON=C(c2ccccc2)/C1=C/c1ccc(Cl)cc1.
What is the InChIKey of (4Z)-4-[(4-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one?
The InChIKey is IUHJZGGSXVWJMS-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H10ClNO2/c17-13-8-6-11(7-9-13)10-14-15(18-20-16(14)19)12-4-2-1-3-5-12/h1-10H/b14-10-.
What are the key properties of (4Z)-4-[(4-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one?
(4Z)-4-[(4-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 (4Z)-4-[(4-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one is sourced from PubChem (CID 5378189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).