2-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-oxadiazole

C9H14N2O — CID 130703721

IUPAC2-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CC2CC2)o1
InChIInChI=1S/C9H14N2O/c1-6(2)9-11-10-8(12-9)5-7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyAEKOKBCCVNOQAT-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.15
Rot. Bonds3

About 2-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-oxadiazole

2-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 130703721) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID130703721
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CC2CC2)o1
InChIInChI=1S/C9H14N2O/c1-6(2)9-11-10-8(12-9)5-7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyAEKOKBCCVNOQAT-UHFFFAOYSA-N
XLogP2.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-oxadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-oxadiazole (CID 130703721) is 2-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(CC2CC2)o1.
What is the InChIKey of 2-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is AEKOKBCCVNOQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)9-11-10-8(12-9)5-7-3-4-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-oxadiazole?
2-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 166.22 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 130703721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).