2-butyl-5-methyl-1,3,4-oxadiazole

C7H12N2O — CID 15307807

IUPAC2-butyl-5-methyl-1,3,4-oxadiazole
SMILESCCCCc1nnc(C)o1
InChIInChI=1S/C7H12N2O/c1-3-4-5-7-9-8-6(2)10-7/h3-5H2,1-2H3
InChIKeyUPQRXUXRLRHVSH-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.72
Rot. Bonds3

About 2-butyl-5-methyl-1,3,4-oxadiazole

2-butyl-5-methyl-1,3,4-oxadiazole (PubChem CID 15307807) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-butyl-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-butyl-5-methyl-1,3,4-oxadiazole
PubChem CID15307807
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-butyl-5-methyl-1,3,4-oxadiazole
SMILESCCCCc1nnc(C)o1
InChIInChI=1S/C7H12N2O/c1-3-4-5-7-9-8-6(2)10-7/h3-5H2,1-2H3
InChIKeyUPQRXUXRLRHVSH-UHFFFAOYSA-N
XLogP1.72
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-butyl-5-methyl-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-butyl-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-butyl-5-methyl-1,3,4-oxadiazole (CID 15307807) is 2-butyl-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-butyl-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-butyl-5-methyl-1,3,4-oxadiazole is CCCCc1nnc(C)o1.
What is the InChIKey of 2-butyl-5-methyl-1,3,4-oxadiazole?
The InChIKey is UPQRXUXRLRHVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-4-5-7-9-8-6(2)10-7/h3-5H2,1-2H3.
What are the key properties of 2-butyl-5-methyl-1,3,4-oxadiazole?
2-butyl-5-methyl-1,3,4-oxadiazole has a molecular weight of 140.19 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 15307807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).