3-(4,5-dicyclohexyl-1,2-oxazol-3-yl)propanenitrile

C18H26N2O — CID 4080069

IUPAC3-(4,5-dicyclohexyl-1,2-oxazol-3-yl)propanenitrile
SMILESN#CCCc1noc(C2CCCCC2)c1C1CCCCC1
InChIInChI=1S/C18H26N2O/c19-13-7-12-16-17(14-8-3-1-4-9-14)18(21-20-16)15-10-5-2-6-11-15/h14-15H,1-12H2
InChIKeyLRADULMOYFNAHV-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.23
Rot. Bonds4

About 3-(4,5-dicyclohexyl-1,2-oxazol-3-yl)propanenitrile

3-(4,5-dicyclohexyl-1,2-oxazol-3-yl)propanenitrile (PubChem CID 4080069) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(4,5-dicyclohexyl-1,2-oxazol-3-yl)propanenitrile.

Molecular Properties

Compound Name3-(4,5-dicyclohexyl-1,2-oxazol-3-yl)propanenitrile
PubChem CID4080069
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-(4,5-dicyclohexyl-1,2-oxazol-3-yl)propanenitrile
SMILESN#CCCc1noc(C2CCCCC2)c1C1CCCCC1
InChIInChI=1S/C18H26N2O/c19-13-7-12-16-17(14-8-3-1-4-9-14)18(21-20-16)15-10-5-2-6-11-15/h14-15H,1-12H2
InChIKeyLRADULMOYFNAHV-UHFFFAOYSA-N
XLogP5.23
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4,5-dicyclohexyl-1,2-oxazol-3-yl)propanenitrile 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

3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106524881
(5-cyclobutyl-4-methyl-1,2-oxazol-3-yl)methanol
CID 130703469
3-cycloheptylpropanenitrile
CID 13164045
4-(chloromethyl)-3-cyclohexyl-5-cyclopropyl-1,2-oxazole
CID 139345619
(5-cycloheptyl-3-methyl-1,2-oxazol-4-yl)methanamine
CID 105462134
4-chloro-5-cyclohexyl-1,2-oxazole-3-carbaldehyde
CID 83909881
3,4-dicyclohexyl-1,2-oxazol-5-amine
CID 101405411
5-cyclopentyl-4-iodo-1,2-oxazol-3-amine
CID 79557488
5-(2-cyclohexylethyl)-1,3,4-thiadiazol-2-amine;3-cyclohexylpropanenitrile
CID 157478754
5-cyclobutyl-4-methyl-1,2-oxazol-3-amine
CID 66198796
5-cyclooctyl-4-propan-2-yl-1,2-oxazol-3-amine
CID 113490792
3-(3-cyclobutyl-5-methyl-1H-pyrazol-4-yl)propanenitrile
CID 121212765

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dicyclohexyl-1,2-oxazol-3-yl)propanenitrile?
The IUPAC name of 3-(4,5-dicyclohexyl-1,2-oxazol-3-yl)propanenitrile (CID 4080069) is 3-(4,5-dicyclohexyl-1,2-oxazol-3-yl)propanenitrile.
What is the SMILES notation for 3-(4,5-dicyclohexyl-1,2-oxazol-3-yl)propanenitrile?
The canonical SMILES for 3-(4,5-dicyclohexyl-1,2-oxazol-3-yl)propanenitrile is N#CCCc1noc(C2CCCCC2)c1C1CCCCC1.
What is the InChIKey of 3-(4,5-dicyclohexyl-1,2-oxazol-3-yl)propanenitrile?
The InChIKey is LRADULMOYFNAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c19-13-7-12-16-17(14-8-3-1-4-9-14)18(21-20-16)15-10-5-2-6-11-15/h14-15H,1-12H2.
What are the key properties of 3-(4,5-dicyclohexyl-1,2-oxazol-3-yl)propanenitrile?
3-(4,5-dicyclohexyl-1,2-oxazol-3-yl)propanenitrile has a molecular weight of 286.42 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dicyclohexyl-1,2-oxazol-3-yl)propanenitrile is sourced from PubChem (CID 4080069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).