(4E)-2-cyclohexyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one

C18H21NO3 — CID 6368562

IUPAC(4E)-2-cyclohexyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCCOc1ccc(/C=C2/N=C(C3CCCCC3)OC2=O)cc1
InChIInChI=1S/C18H21NO3/c1-2-21-15-10-8-13(9-11-15)12-16-18(20)22-17(19-16)14-6-4-3-5-7-14/h8-12,14H,2-7H2,1H3/b16-12+
InChIKeyOFRMMLUBCDZZPW-FOWTUZBSSA-N
MW299.37 g/mol
LogP3.96
Rot. Bonds4

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

(4E)-2-cyclohexyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 6368562) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (4E)-2-cyclohexyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-cyclohexyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID6368562
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(4E)-2-cyclohexyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCCOc1ccc(/C=C2/N=C(C3CCCCC3)OC2=O)cc1
InChIInChI=1S/C18H21NO3/c1-2-21-15-10-8-13(9-11-15)12-16-18(20)22-17(19-16)14-6-4-3-5-7-14/h8-12,14H,2-7H2,1H3/b16-12+
InChIKeyOFRMMLUBCDZZPW-FOWTUZBSSA-N
XLogP3.96
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4Z)-2-cyclohexyl-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 818189
[4-[(Z)-(2-cyclohexyl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenyl] acetate
CID 867110
4-benzylidene-2-cyclohexyl-1,3-oxazol-5-one
CID 2839077
(4Z)-2-cyclohexyl-4-[(2-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6952317
(4E)-2-cyclopropyl-4-[(4-ethylphenyl)methylidene]-1,3-oxazol-5-one
CID 108936182
(4E)-2-cyclopentyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one
CID 108935975
(4E)-2-cyclopentyl-4-[(3-ethyl-4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108937585
(4Z)-2-tert-butyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 17466219
(4E)-2-cyclobutyl-4-[(3,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108937753
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-cyclohexyl-1,3-oxazol-5-one
CID 6952318
(4E)-4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 740848
(4E)-2-cyclopropyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one
CID 108935933

Frequently Asked Questions

What is the IUPAC name of (4E)-2-cyclohexyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-cyclohexyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one (CID 6368562) is (4E)-2-cyclohexyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-cyclohexyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-cyclohexyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one is CCOc1ccc(/C=C2/N=C(C3CCCCC3)OC2=O)cc1.
What is the InChIKey of (4E)-2-cyclohexyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is OFRMMLUBCDZZPW-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H21NO3/c1-2-21-15-10-8-13(9-11-15)12-16-18(20)22-17(19-16)14-6-4-3-5-7-14/h8-12,14H,2-7H2,1H3/b16-12+.
What are the key properties of (4E)-2-cyclohexyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one?
(4E)-2-cyclohexyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 299.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-cyclohexyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 6368562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).