(2Z)-1-(4-chlorophenyl)-2-(5H-1,3-oxazol-2-ylidene)ethanone

C11H8ClNO2 — CID 141232207

IUPAC(2Z)-1-(4-chlorophenyl)-2-(5H-1,3-oxazol-2-ylidene)ethanone
SMILESO=C(/C=C1/N=CCO1)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClNO2/c12-9-3-1-8(2-4-9)10(14)7-11-13-5-6-15-11/h1-5,7H,6H2/b11-7-
InChIKeyKOAABLSMRNTPLP-XFFZJAGNSA-N
MW221.64 g/mol
LogP2.47
Rot. Bonds2

About (2Z)-1-(4-chlorophenyl)-2-(5H-1,3-oxazol-2-ylidene)ethanone

(2Z)-1-(4-chlorophenyl)-2-(5H-1,3-oxazol-2-ylidene)ethanone (PubChem CID 141232207) has the molecular formula C11H8ClNO2 and a molecular weight of 221.64 g/mol. Its IUPAC name is (2Z)-1-(4-chlorophenyl)-2-(5H-1,3-oxazol-2-ylidene)ethanone.

Molecular Properties

Compound Name(2Z)-1-(4-chlorophenyl)-2-(5H-1,3-oxazol-2-ylidene)ethanone
PubChem CID141232207
Molecular FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
Exact Mass221.02
IUPAC Name(2Z)-1-(4-chlorophenyl)-2-(5H-1,3-oxazol-2-ylidene)ethanone
SMILESO=C(/C=C1/N=CCO1)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClNO2/c12-9-3-1-8(2-4-9)10(14)7-11-13-5-6-15-11/h1-5,7H,6H2/b11-7-
InChIKeyKOAABLSMRNTPLP-XFFZJAGNSA-N
XLogP2.47
TPSA38.66 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 ≤ 52.47
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

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CID 103457870
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cesium;4-chlorobenzoic acid;fluoride
CID 175696882
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CID 19553006

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-(4-chlorophenyl)-2-(5H-1,3-oxazol-2-ylidene)ethanone?
The IUPAC name of (2Z)-1-(4-chlorophenyl)-2-(5H-1,3-oxazol-2-ylidene)ethanone (CID 141232207) is (2Z)-1-(4-chlorophenyl)-2-(5H-1,3-oxazol-2-ylidene)ethanone.
What is the SMILES notation for (2Z)-1-(4-chlorophenyl)-2-(5H-1,3-oxazol-2-ylidene)ethanone?
The canonical SMILES for (2Z)-1-(4-chlorophenyl)-2-(5H-1,3-oxazol-2-ylidene)ethanone is O=C(/C=C1/N=CCO1)c1ccc(Cl)cc1.
What is the InChIKey of (2Z)-1-(4-chlorophenyl)-2-(5H-1,3-oxazol-2-ylidene)ethanone?
The InChIKey is KOAABLSMRNTPLP-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H8ClNO2/c12-9-3-1-8(2-4-9)10(14)7-11-13-5-6-15-11/h1-5,7H,6H2/b11-7-.
What are the key properties of (2Z)-1-(4-chlorophenyl)-2-(5H-1,3-oxazol-2-ylidene)ethanone?
(2Z)-1-(4-chlorophenyl)-2-(5H-1,3-oxazol-2-ylidene)ethanone has a molecular weight of 221.64 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-(4-chlorophenyl)-2-(5H-1,3-oxazol-2-ylidene)ethanone is sourced from PubChem (CID 141232207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).