4-benzylidene-2-cyclohexyl-1,3-oxazol-5-one

C16H17NO2 — CID 2839077

IUPAC4-benzylidene-2-cyclohexyl-1,3-oxazol-5-one
SMILESO=C1OC(C2CCCCC2)=NC1=Cc1ccccc1
InChIInChI=1S/C16H17NO2/c18-16-14(11-12-7-3-1-4-8-12)17-15(19-16)13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2
InChIKeyPFPHQXAQHMRLMF-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.56
Rot. Bonds2

About 4-benzylidene-2-cyclohexyl-1,3-oxazol-5-one

4-benzylidene-2-cyclohexyl-1,3-oxazol-5-one (PubChem CID 2839077) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-benzylidene-2-cyclohexyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-benzylidene-2-cyclohexyl-1,3-oxazol-5-one
PubChem CID2839077
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name4-benzylidene-2-cyclohexyl-1,3-oxazol-5-one
SMILESO=C1OC(C2CCCCC2)=NC1=Cc1ccccc1
InChIInChI=1S/C16H17NO2/c18-16-14(11-12-7-3-1-4-8-12)17-15(19-16)13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2
InChIKeyPFPHQXAQHMRLMF-UHFFFAOYSA-N
XLogP3.56
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.56
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-cyclopentyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one
CID 108935975
(4Z)-2-cyclohexyl-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 818189
(4E)-2-cyclohexyl-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6368562
(4E)-2-cyclopropyl-4-(pyridin-4-ylmethylidene)-1,3-oxazol-5-one
CID 108935933
[4-[(Z)-(2-cyclohexyl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenyl] acetate
CID 867110
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-cyclohexyl-1,3-oxazol-5-one
CID 6952318
(4E)-2-cyclopropyl-4-[(4-ethylphenyl)methylidene]-1,3-oxazol-5-one
CID 108936182
(4Z)-2-cyclohexyl-4-[(2,4-dimethylphenyl)methylidene]-1,3-oxazol-5-one
CID 108937482
(4Z)-2-cyclohexyl-4-[(2-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6952317
(4E)-2-cyclobutyl-4-[(3,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108937753
(4E)-2-cyclopentyl-4-[(3-ethyl-4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108937585
(4Z)-4-[(3-bromophenyl)methylidene]-2-(4-propylcyclohexyl)-1,3-oxazol-5-one
CID 6056623

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-2-cyclohexyl-1,3-oxazol-5-one?
The IUPAC name of 4-benzylidene-2-cyclohexyl-1,3-oxazol-5-one (CID 2839077) is 4-benzylidene-2-cyclohexyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-benzylidene-2-cyclohexyl-1,3-oxazol-5-one?
The canonical SMILES for 4-benzylidene-2-cyclohexyl-1,3-oxazol-5-one is O=C1OC(C2CCCCC2)=NC1=Cc1ccccc1.
What is the InChIKey of 4-benzylidene-2-cyclohexyl-1,3-oxazol-5-one?
The InChIKey is PFPHQXAQHMRLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16-14(11-12-7-3-1-4-8-12)17-15(19-16)13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2.
What are the key properties of 4-benzylidene-2-cyclohexyl-1,3-oxazol-5-one?
4-benzylidene-2-cyclohexyl-1,3-oxazol-5-one has a molecular weight of 255.32 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-2-cyclohexyl-1,3-oxazol-5-one is sourced from PubChem (CID 2839077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).