4,5-dicyclohexyl-3H-1,3-oxazol-2-one

C15H23NO2 — CID 140997731

IUPAC4,5-dicyclohexyl-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(C2CCCCC2)c(C2CCCCC2)o1
InChIInChI=1S/C15H23NO2/c17-15-16-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h11-12H,1-10H2,(H,16,17)
InChIKeyJGMPPAXEVYOMMW-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.06
Rot. Bonds2

About 4,5-dicyclohexyl-3H-1,3-oxazol-2-one

4,5-dicyclohexyl-3H-1,3-oxazol-2-one (PubChem CID 140997731) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4,5-dicyclohexyl-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4,5-dicyclohexyl-3H-1,3-oxazol-2-one
PubChem CID140997731
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4,5-dicyclohexyl-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(C2CCCCC2)c(C2CCCCC2)o1
InChIInChI=1S/C15H23NO2/c17-15-16-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h11-12H,1-10H2,(H,16,17)
InChIKeyJGMPPAXEVYOMMW-UHFFFAOYSA-N
XLogP4.06
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,5-dicyclohexyl-3H-1,3-oxazol-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4-cycloheptyl-3H-1,3-oxazol-2-one
CID 105439472
4-hydroxy-5-(4-methylidenecyclohexyl)-3H-1,3-oxazol-2-one
CID 54507817
5-cyclohexyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 115030618
4-cycloheptyl-5-methyl-1,3-dihydroimidazol-2-one
CID 105448418
5-cyclohexyl-4-prop-2-enyl-1,2-oxazol-3-one
CID 132534473
4-cyclohexyl-5-(2-methylpropyl)-1,3-dioxol-2-one
CID 177096003
5,6-di(cyclooctyl)-1H-pyrazin-2-one
CID 138645652
(1S,6S)-bicyclo[4.2.1]nonan-9-one
CID 98153778
4-cycloheptyl-1,3-dihydroimidazol-2-one
CID 105438957
5-cyclohexyl-2-cyclopropylfuran-3-carbaldehyde
CID 165451234
3,4-dicyclopentylfuran-2,5-dione
CID 57026233
bicyclo[7.3.1]tridecane-10,12-dione
CID 86112155

Frequently Asked Questions

What is the IUPAC name of 4,5-dicyclohexyl-3H-1,3-oxazol-2-one?
The IUPAC name of 4,5-dicyclohexyl-3H-1,3-oxazol-2-one (CID 140997731) is 4,5-dicyclohexyl-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4,5-dicyclohexyl-3H-1,3-oxazol-2-one?
The canonical SMILES for 4,5-dicyclohexyl-3H-1,3-oxazol-2-one is O=c1[nH]c(C2CCCCC2)c(C2CCCCC2)o1.
What is the InChIKey of 4,5-dicyclohexyl-3H-1,3-oxazol-2-one?
The InChIKey is JGMPPAXEVYOMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c17-15-16-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h11-12H,1-10H2,(H,16,17).
What are the key properties of 4,5-dicyclohexyl-3H-1,3-oxazol-2-one?
4,5-dicyclohexyl-3H-1,3-oxazol-2-one has a molecular weight of 249.35 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dicyclohexyl-3H-1,3-oxazol-2-one is sourced from PubChem (CID 140997731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).