3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole

C14H23N3O — CID 81047095

IUPAC3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
SMILESCC(Cc1nc(C2CC2C)no1)C1CCCNC1
InChIInChI=1S/C14H23N3O/c1-9(11-4-3-5-15-8-11)7-13-16-14(17-18-13)12-6-10(12)2/h9-12,15H,3-8H2,1-2H3
InChIKeyJWWLRBLUHSKUMQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.37
Rot. Bonds4

About 3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole

3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole (PubChem CID 81047095) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
PubChem CID81047095
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
SMILESCC(Cc1nc(C2CC2C)no1)C1CCCNC1
InChIInChI=1S/C14H23N3O/c1-9(11-4-3-5-15-8-11)7-13-16-14(17-18-13)12-6-10(12)2/h9-12,15H,3-8H2,1-2H3
InChIKeyJWWLRBLUHSKUMQ-UHFFFAOYSA-N
XLogP2.37
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole 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-(methoxymethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81046287
3-(1-methoxycyclopentyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 104609699
3-(cyclopentylsulfanylmethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81048201
5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 81046211
3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81048775
3-[(2-chlorophenyl)methyl]-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole;hydrochloride
CID 119947686
2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
CID 81046144
5-(2-methylcyclopropyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026812
6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
CID 81046290
3-[1-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-yl]piperidine
CID 114286480
3-(2-methylcyclopropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 65421015
5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 86277244

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole (CID 81047095) is 3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole is CC(Cc1nc(C2CC2C)no1)C1CCCNC1.
What is the InChIKey of 3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole?
The InChIKey is JWWLRBLUHSKUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(11-4-3-5-15-8-11)7-13-16-14(17-18-13)12-6-10(12)2/h9-12,15H,3-8H2,1-2H3.
What are the key properties of 3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole?
3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole has a molecular weight of 249.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 81047095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).