(4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one

C10H6ClNO2 — CID 5369649

IUPAC(4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C\Cl
InChIInChI=1S/C10H6ClNO2/c11-6-8-10(13)14-9(12-8)7-4-2-1-3-5-7/h1-6H/b8-6-
InChIKeyFSFZBUCNVBXRQH-VURMDHGXSA-N
MW207.62 g/mol
LogP2.07
Rot. Bonds1

About (4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one

(4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one (PubChem CID 5369649) has the molecular formula C10H6ClNO2 and a molecular weight of 207.62 g/mol. Its IUPAC name is (4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one
PubChem CID5369649
Molecular FormulaC10H6ClNO2
Molecular Weight207.62 g/mol
Exact Mass207.01
IUPAC Name(4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C\Cl
InChIInChI=1S/C10H6ClNO2/c11-6-8-10(13)14-9(12-8)7-4-2-1-3-5-7/h1-6H/b8-6-
InChIKeyFSFZBUCNVBXRQH-VURMDHGXSA-N
XLogP2.07
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.62
LogP ≤ 52.07
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

(4Z)-4-(3-methylbut-2-enylidene)-2-phenyl-1,3-oxazol-5-one
CID 42603547
(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
CID 690059
(4Z)-4-(2-methylpropylidene)-2-phenyl-1,3-oxazol-5-one
CID 5369550
(4E)-4-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)-2-phenyl-1,3-oxazol-5-one
CID 58657938
4-[(4-aminophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 71414757
4-[(2-iodophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 1270631
(4E)-4-[(2-chloro-3-pyridinyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 87048179
(4E)-4-(morpholin-4-ylmethylidene)-2-phenyl-1,3-oxazol-5-one
CID 11118732
4-[(2,3-dichlorophenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 3427460
4-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3109212
2-(4-phenylphenyl)-4-(pyridin-2-ylmethylidene)-1,3-oxazol-5-one
CID 3519598
4-[(2,4-dichlorophenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 4528052

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one (CID 5369649) is (4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=N/C1=C\Cl.
What is the InChIKey of (4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one?
The InChIKey is FSFZBUCNVBXRQH-VURMDHGXSA-N. The full InChI is InChI=1S/C10H6ClNO2/c11-6-8-10(13)14-9(12-8)7-4-2-1-3-5-7/h1-6H/b8-6-.
What are the key properties of (4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one?
(4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one has a molecular weight of 207.62 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 5369649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).