4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine

C16H27N3O2 — CID 103988179

IUPAC4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(c2nc(CC3CCOC3)no2)CC1
InChIInChI=1S/C16H27N3O2/c1-2-8-17-14-5-3-13(4-6-14)16-18-15(19-21-16)10-12-7-9-20-11-12/h12-14,17H,2-11H2,1H3
InChIKeyFIHJHBIJDIOITL-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.67
Rot. Bonds6

About 4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine

4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine (PubChem CID 103988179) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
PubChem CID103988179
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(c2nc(CC3CCOC3)no2)CC1
InChIInChI=1S/C16H27N3O2/c1-2-8-17-14-5-3-13(4-6-14)16-18-15(19-21-16)10-12-7-9-20-11-12/h12-14,17H,2-11H2,1H3
InChIKeyFIHJHBIJDIOITL-UHFFFAOYSA-N
XLogP2.67
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine 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 4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine?
The IUPAC name of 4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine (CID 103988179) is 4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine is CCCNC1CCC(c2nc(CC3CCOC3)no2)CC1.
What is the InChIKey of 4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine?
The InChIKey is FIHJHBIJDIOITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-2-8-17-14-5-3-13(4-6-14)16-18-15(19-21-16)10-12-7-9-20-11-12/h12-14,17H,2-11H2,1H3.
What are the key properties of 4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine?
4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 103988179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).