(4E)-2-cyclopropyl-4-[(4-ethylphenyl)methylidene]-1,3-oxazol-5-one

C15H15NO2 — CID 108936182

IUPAC(4E)-2-cyclopropyl-4-[(4-ethylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCCc1ccc(/C=C2/N=C(C3CC3)OC2=O)cc1
InChIInChI=1S/C15H15NO2/c1-2-10-3-5-11(6-4-10)9-13-15(17)18-14(16-13)12-7-8-12/h3-6,9,12H,2,7-8H2,1H3/b13-9+
InChIKeyOQEKMBZBWPWTLK-UKTHLTGXSA-N
MW241.29 g/mol
LogP2.96
Rot. Bonds3

About (4E)-2-cyclopropyl-4-[(4-ethylphenyl)methylidene]-1,3-oxazol-5-one

(4E)-2-cyclopropyl-4-[(4-ethylphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 108936182) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (4E)-2-cyclopropyl-4-[(4-ethylphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-cyclopropyl-4-[(4-ethylphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID108936182
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(4E)-2-cyclopropyl-4-[(4-ethylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCCc1ccc(/C=C2/N=C(C3CC3)OC2=O)cc1
InChIInChI=1S/C15H15NO2/c1-2-10-3-5-11(6-4-10)9-13-15(17)18-14(16-13)12-7-8-12/h3-6,9,12H,2,7-8H2,1H3/b13-9+
InChIKeyOQEKMBZBWPWTLK-UKTHLTGXSA-N
XLogP2.96
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.96
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

(4E)-2-cyclopropyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one
CID 108935933
(4E)-2-cyclohexyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6368562
4-benzylidene-2-cyclohexyl-1,3-oxazol-5-one
CID 2839077
(4Z)-2-cyclohexyl-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 818189
(4E)-2-cyclopentyl-4-[(3-ethyl-4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108937585
(4E)-4-[(4-ethylphenyl)methylidene]-2-propan-2-yl-1,3-oxazol-5-one
CID 108936181
(4E)-2-cyclopentyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one
CID 108935975
(4E)-4-[(4-ethylphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 108936192
4-[(3-chlorophenyl)methylidene]-2-(4-propylcyclohexyl)-1,3-oxazol-5-one
CID 4093059
(4Z)-4-[(3-bromophenyl)methylidene]-2-(4-propylcyclohexyl)-1,3-oxazol-5-one
CID 6056623
(4E)-4-[(4-ethylphenyl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one
CID 108936191
[4-[(Z)-(2-cyclohexyl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenyl] acetate
CID 867110

Frequently Asked Questions

What is the IUPAC name of (4E)-2-cyclopropyl-4-[(4-ethylphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-cyclopropyl-4-[(4-ethylphenyl)methylidene]-1,3-oxazol-5-one (CID 108936182) is (4E)-2-cyclopropyl-4-[(4-ethylphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-cyclopropyl-4-[(4-ethylphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-cyclopropyl-4-[(4-ethylphenyl)methylidene]-1,3-oxazol-5-one is CCc1ccc(/C=C2/N=C(C3CC3)OC2=O)cc1.
What is the InChIKey of (4E)-2-cyclopropyl-4-[(4-ethylphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is OQEKMBZBWPWTLK-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-10-3-5-11(6-4-10)9-13-15(17)18-14(16-13)12-7-8-12/h3-6,9,12H,2,7-8H2,1H3/b13-9+.
What are the key properties of (4E)-2-cyclopropyl-4-[(4-ethylphenyl)methylidene]-1,3-oxazol-5-one?
(4E)-2-cyclopropyl-4-[(4-ethylphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 241.29 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-cyclopropyl-4-[(4-ethylphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 108936182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).