2-methyl-5-propan-2-yl-1,3,4-oxadiazole

C6H10N2O — CID 15307806

IUPAC2-methyl-5-propan-2-yl-1,3,4-oxadiazole
SMILESCc1nnc(C(C)C)o1
InChIInChI=1S/C6H10N2O/c1-4(2)6-8-7-5(3)9-6/h4H,1-3H3
InChIKeyCHSCXQIJBKAIIT-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.50
Rot. Bonds1

About 2-methyl-5-propan-2-yl-1,3,4-oxadiazole

2-methyl-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 15307806) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID15307806
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-methyl-5-propan-2-yl-1,3,4-oxadiazole
SMILESCc1nnc(C(C)C)o1
InChIInChI=1S/C6H10N2O/c1-4(2)6-8-7-5(3)9-6/h4H,1-3H3
InChIKeyCHSCXQIJBKAIIT-UHFFFAOYSA-N
XLogP1.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-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-methyl-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-propan-2-yl-1,3,4-oxadiazole (CID 15307806) is 2-methyl-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-propan-2-yl-1,3,4-oxadiazole is Cc1nnc(C(C)C)o1.
What is the InChIKey of 2-methyl-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is CHSCXQIJBKAIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-4(2)6-8-7-5(3)9-6/h4H,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-1,3,4-oxadiazole?
2-methyl-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 126.16 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 15307806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).