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

C17H19NO2 — CID 6381052

IUPAC(4E)-2-cyclohexyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCc1ccc(/C=C2/N=C(C3CCCCC3)OC2=O)cc1
InChIInChI=1S/C17H19NO2/c1-12-7-9-13(10-8-12)11-15-17(19)20-16(18-15)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3/b15-11+
InChIKeyDWVNSQMFCDFALG-RVDMUPIBSA-N
MW269.34 g/mol
LogP3.87
Rot. Bonds2

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

(4E)-2-cyclohexyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one (PubChem CID 6381052) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (4E)-2-cyclohexyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-cyclohexyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
PubChem CID6381052
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(4E)-2-cyclohexyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one
SMILESCc1ccc(/C=C2/N=C(C3CCCCC3)OC2=O)cc1
InChIInChI=1S/C17H19NO2/c1-12-7-9-13(10-8-12)11-15-17(19)20-16(18-15)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3/b15-11+
InChIKeyDWVNSQMFCDFALG-RVDMUPIBSA-N
XLogP3.87
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.87
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

(Z)-4-Benzylidene-2-methyloxazol-5(4H)-one
CID 1551279
2-Methyl-4-(phenylmethylene)oxazol-5(4H)-one
CID 1551278
4-(3-Fluoro-benzylidene)-2-p-tolyl-4H-oxazol-5-one
CID 1733419
2-phenyl-4-(1-phenylethylidene)-1,3-oxazol-5(4H)-one
CID 5384655
(Z)-2-Methyl-4-(4-methylbenzylidene)oxazol-5(4H)-one
CID 1550070
(4E)-4-[(2E)-3-phenylprop-2-enylidene]-2-[(E)-2-phenylvinyl]-1,3-oxazol-5(4H)-one
CID 6150155
(4Z)-4-[(4-fluorophenyl)methylene]-2-methyl-oxazol-5-one
CID 2306688
4-Benzal-2-phenyl-5-oxazolone
CID 136663
(Z)-4-Benzylidene-2-phenyloxazol-5(4H)-one
CID 707067
4-(4'-Trifluoromethylbenzylidene)-2-phenyl-5(4h)-oxazolone
CID 710652
4-(4-Methylbenzylidene)-2-phenyloxazol-5(4H)-one
CID 2731014
AC1Ntnke
CID 5384656

Frequently Asked Questions

What is the IUPAC name of (4E)-2-cyclohexyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-cyclohexyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one (CID 6381052) is (4E)-2-cyclohexyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-cyclohexyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-cyclohexyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one is Cc1ccc(/C=C2/N=C(C3CCCCC3)OC2=O)cc1.
What is the InChIKey of (4E)-2-cyclohexyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one?
The InChIKey is DWVNSQMFCDFALG-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-7-9-13(10-8-12)11-15-17(19)20-16(18-15)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3/b15-11+.
What are the key properties of (4E)-2-cyclohexyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one?
(4E)-2-cyclohexyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one has a molecular weight of 269.34 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-cyclohexyl-4-[(4-methylphenyl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 6381052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).