(4Z)-2-(4-chlorophenyl)-4-(1-ethoxyethylidene)-1,3-oxazol-5-one

C13H12ClNO3 — CID 901743

IUPAC(4Z)-2-(4-chlorophenyl)-4-(1-ethoxyethylidene)-1,3-oxazol-5-one
SMILESCCO/C(C)=C1\N=C(c2ccc(Cl)cc2)OC1=O
InChIInChI=1S/C13H12ClNO3/c1-3-17-8(2)11-13(16)18-12(15-11)9-4-6-10(14)7-5-9/h4-7H,3H2,1-2H3/b11-8-
InChIKeyYZPMQSMEQXMEHO-FLIBITNWSA-N
MW265.70 g/mol
LogP2.91
Rot. Bonds3

About (4Z)-2-(4-chlorophenyl)-4-(1-ethoxyethylidene)-1,3-oxazol-5-one

(4Z)-2-(4-chlorophenyl)-4-(1-ethoxyethylidene)-1,3-oxazol-5-one (PubChem CID 901743) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is (4Z)-2-(4-chlorophenyl)-4-(1-ethoxyethylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(4-chlorophenyl)-4-(1-ethoxyethylidene)-1,3-oxazol-5-one
PubChem CID901743
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name(4Z)-2-(4-chlorophenyl)-4-(1-ethoxyethylidene)-1,3-oxazol-5-one
SMILESCCO/C(C)=C1\N=C(c2ccc(Cl)cc2)OC1=O
InChIInChI=1S/C13H12ClNO3/c1-3-17-8(2)11-13(16)18-12(15-11)9-4-6-10(14)7-5-9/h4-7H,3H2,1-2H3/b11-8-
InChIKeyYZPMQSMEQXMEHO-FLIBITNWSA-N
XLogP2.91
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(4-chlorophenyl)-4-(1-ethoxyethylidene)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(4-chlorophenyl)-4-(1-ethoxyethylidene)-1,3-oxazol-5-one (CID 901743) is (4Z)-2-(4-chlorophenyl)-4-(1-ethoxyethylidene)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(4-chlorophenyl)-4-(1-ethoxyethylidene)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(4-chlorophenyl)-4-(1-ethoxyethylidene)-1,3-oxazol-5-one is CCO/C(C)=C1\N=C(c2ccc(Cl)cc2)OC1=O.
What is the InChIKey of (4Z)-2-(4-chlorophenyl)-4-(1-ethoxyethylidene)-1,3-oxazol-5-one?
The InChIKey is YZPMQSMEQXMEHO-FLIBITNWSA-N. The full InChI is InChI=1S/C13H12ClNO3/c1-3-17-8(2)11-13(16)18-12(15-11)9-4-6-10(14)7-5-9/h4-7H,3H2,1-2H3/b11-8-.
What are the key properties of (4Z)-2-(4-chlorophenyl)-4-(1-ethoxyethylidene)-1,3-oxazol-5-one?
(4Z)-2-(4-chlorophenyl)-4-(1-ethoxyethylidene)-1,3-oxazol-5-one has a molecular weight of 265.70 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(4-chlorophenyl)-4-(1-ethoxyethylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 901743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).