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

C18H21NO3 — CID 6952317

IUPAC(4Z)-2-cyclohexyl-4-[(2-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCCOc1ccccc1/C=C1\N=C(C2CCCCC2)OC1=O
InChIInChI=1S/C18H21NO3/c1-2-21-16-11-7-6-10-14(16)12-15-18(20)22-17(19-15)13-8-4-3-5-9-13/h6-7,10-13H,2-5,8-9H2,1H3/b15-12-
InChIKeyMNRAHYKPXUVASG-QINSGFPZSA-N
MW299.37 g/mol
LogP3.96
Rot. Bonds4

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

(4Z)-2-cyclohexyl-4-[(2-ethoxyphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 6952317) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (4Z)-2-cyclohexyl-4-[(2-ethoxyphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-cyclohexyl-4-[(2-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID6952317
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(4Z)-2-cyclohexyl-4-[(2-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
SMILESCCOc1ccccc1/C=C1\N=C(C2CCCCC2)OC1=O
InChIInChI=1S/C18H21NO3/c1-2-21-16-11-7-6-10-14(16)12-15-18(20)22-17(19-15)13-8-4-3-5-9-13/h6-7,10-13H,2-5,8-9H2,1H3/b15-12-
InChIKeyMNRAHYKPXUVASG-QINSGFPZSA-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

(4E)-2-cyclohexyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6368562
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(oxan-4-yl)-1,3-oxazol-5-one
CID 108936245
(4Z)-2-cyclohexyl-4-[(2,4-dimethylphenyl)methylidene]-1,3-oxazol-5-one
CID 108937482
(4E)-4-[(2-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 6269498
(4E)-2-cyclobutyl-4-[(2-methoxy-5-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 108937389
(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
(4Z)-2-(3-bromophenyl)-4-[(2-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 1353722
2-(3-bromo-4-methoxyphenyl)-4-[(2-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 5106491
(4Z)-4-[(2-ethoxyphenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one
CID 6509942
(4E)-2-cyclopentyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one
CID 108935975
[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 (4Z)-2-cyclohexyl-4-[(2-ethoxyphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-cyclohexyl-4-[(2-ethoxyphenyl)methylidene]-1,3-oxazol-5-one (CID 6952317) is (4Z)-2-cyclohexyl-4-[(2-ethoxyphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-cyclohexyl-4-[(2-ethoxyphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-cyclohexyl-4-[(2-ethoxyphenyl)methylidene]-1,3-oxazol-5-one is CCOc1ccccc1/C=C1\N=C(C2CCCCC2)OC1=O.
What is the InChIKey of (4Z)-2-cyclohexyl-4-[(2-ethoxyphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is MNRAHYKPXUVASG-QINSGFPZSA-N. The full InChI is InChI=1S/C18H21NO3/c1-2-21-16-11-7-6-10-14(16)12-15-18(20)22-17(19-15)13-8-4-3-5-9-13/h6-7,10-13H,2-5,8-9H2,1H3/b15-12-.
What are the key properties of (4Z)-2-cyclohexyl-4-[(2-ethoxyphenyl)methylidene]-1,3-oxazol-5-one?
(4Z)-2-cyclohexyl-4-[(2-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 (4Z)-2-cyclohexyl-4-[(2-ethoxyphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 6952317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).