(4Z)-4-benzylidene-2-(4-propylcyclohexyl)-1,3-oxazol-5-one

C19H23NO2 — CID 6061771

IUPAC(4Z)-4-benzylidene-2-(4-propylcyclohexyl)-1,3-oxazol-5-one
SMILESCCCC1CCC(C2=N/C(=C\c3ccccc3)C(=O)O2)CC1
InChIInChI=1S/C19H23NO2/c1-2-6-14-9-11-16(12-10-14)18-20-17(19(21)22-18)13-15-7-4-3-5-8-15/h3-5,7-8,13-14,16H,2,6,9-12H2,1H3/b17-13-
InChIKeyFHRUQZVAFPLFDE-LGMDPLHJSA-N
MW297.40 g/mol
LogP4.59
Rot. Bonds4

About (4Z)-4-benzylidene-2-(4-propylcyclohexyl)-1,3-oxazol-5-one

(4Z)-4-benzylidene-2-(4-propylcyclohexyl)-1,3-oxazol-5-one (PubChem CID 6061771) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (4Z)-4-benzylidene-2-(4-propylcyclohexyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-benzylidene-2-(4-propylcyclohexyl)-1,3-oxazol-5-one
PubChem CID6061771
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(4Z)-4-benzylidene-2-(4-propylcyclohexyl)-1,3-oxazol-5-one
SMILESCCCC1CCC(C2=N/C(=C\c3ccccc3)C(=O)O2)CC1
InChIInChI=1S/C19H23NO2/c1-2-6-14-9-11-16(12-10-14)18-20-17(19(21)22-18)13-15-7-4-3-5-8-15/h3-5,7-8,13-14,16H,2,6,9-12H2,1H3/b17-13-
InChIKeyFHRUQZVAFPLFDE-LGMDPLHJSA-N
XLogP4.59
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4Z)-4-benzylidene-2-(4-propylcyclohexyl)-1,3-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-2-(4-propylcyclohexyl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-benzylidene-2-(4-propylcyclohexyl)-1,3-oxazol-5-one (CID 6061771) is (4Z)-4-benzylidene-2-(4-propylcyclohexyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-benzylidene-2-(4-propylcyclohexyl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-benzylidene-2-(4-propylcyclohexyl)-1,3-oxazol-5-one is CCCC1CCC(C2=N/C(=C\c3ccccc3)C(=O)O2)CC1.
What is the InChIKey of (4Z)-4-benzylidene-2-(4-propylcyclohexyl)-1,3-oxazol-5-one?
The InChIKey is FHRUQZVAFPLFDE-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H23NO2/c1-2-6-14-9-11-16(12-10-14)18-20-17(19(21)22-18)13-15-7-4-3-5-8-15/h3-5,7-8,13-14,16H,2,6,9-12H2,1H3/b17-13-.
What are the key properties of (4Z)-4-benzylidene-2-(4-propylcyclohexyl)-1,3-oxazol-5-one?
(4Z)-4-benzylidene-2-(4-propylcyclohexyl)-1,3-oxazol-5-one has a molecular weight of 297.40 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-benzylidene-2-(4-propylcyclohexyl)-1,3-oxazol-5-one is sourced from PubChem (CID 6061771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).