5-(1-methylcyclohexyl)-2-pyrrolidin-3-yl-1,3-oxazole

C14H22N2O — CID 115040326

IUPAC5-(1-methylcyclohexyl)-2-pyrrolidin-3-yl-1,3-oxazole
SMILESCC1(c2cnc(C3CCNC3)o2)CCCCC1
InChIInChI=1S/C14H22N2O/c1-14(6-3-2-4-7-14)12-10-16-13(17-12)11-5-8-15-9-11/h10-11,15H,2-9H2,1H3
InChIKeyHCDIPHYVKPJUOJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.97
Rot. Bonds2

About 5-(1-methylcyclohexyl)-2-pyrrolidin-3-yl-1,3-oxazole

5-(1-methylcyclohexyl)-2-pyrrolidin-3-yl-1,3-oxazole (PubChem CID 115040326) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-(1-methylcyclohexyl)-2-pyrrolidin-3-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(1-methylcyclohexyl)-2-pyrrolidin-3-yl-1,3-oxazole
PubChem CID115040326
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name5-(1-methylcyclohexyl)-2-pyrrolidin-3-yl-1,3-oxazole
SMILESCC1(c2cnc(C3CCNC3)o2)CCCCC1
InChIInChI=1S/C14H22N2O/c1-14(6-3-2-4-7-14)12-10-16-13(17-12)11-5-8-15-9-11/h10-11,15H,2-9H2,1H3
InChIKeyHCDIPHYVKPJUOJ-UHFFFAOYSA-N
XLogP2.97
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(1-methylcyclohexyl)-2-pyrrolidin-3-yl-1,3-oxazole 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 5-(1-methylcyclohexyl)-2-pyrrolidin-3-yl-1,3-oxazole?
The IUPAC name of 5-(1-methylcyclohexyl)-2-pyrrolidin-3-yl-1,3-oxazole (CID 115040326) is 5-(1-methylcyclohexyl)-2-pyrrolidin-3-yl-1,3-oxazole.
What is the SMILES notation for 5-(1-methylcyclohexyl)-2-pyrrolidin-3-yl-1,3-oxazole?
The canonical SMILES for 5-(1-methylcyclohexyl)-2-pyrrolidin-3-yl-1,3-oxazole is CC1(c2cnc(C3CCNC3)o2)CCCCC1.
What is the InChIKey of 5-(1-methylcyclohexyl)-2-pyrrolidin-3-yl-1,3-oxazole?
The InChIKey is HCDIPHYVKPJUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(6-3-2-4-7-14)12-10-16-13(17-12)11-5-8-15-9-11/h10-11,15H,2-9H2,1H3.
What are the key properties of 5-(1-methylcyclohexyl)-2-pyrrolidin-3-yl-1,3-oxazole?
5-(1-methylcyclohexyl)-2-pyrrolidin-3-yl-1,3-oxazole has a molecular weight of 234.34 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclohexyl)-2-pyrrolidin-3-yl-1,3-oxazole is sourced from PubChem (CID 115040326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).