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

C9H16N2O — CID 20605524

IUPAC2-butan-2-yl-5-propan-2-yl-1,3,4-oxadiazole
SMILESCCC(C)c1nnc(C(C)C)o1
InChIInChI=1S/C9H16N2O/c1-5-7(4)9-11-10-8(12-9)6(2)3/h6-7H,5H2,1-4H3
InChIKeyUZQKWJKUUFREJT-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.71
Rot. Bonds3

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

2-butan-2-yl-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 20605524) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-butan-2-yl-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-butan-2-yl-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID20605524
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-butan-2-yl-5-propan-2-yl-1,3,4-oxadiazole
SMILESCCC(C)c1nnc(C(C)C)o1
InChIInChI=1S/C9H16N2O/c1-5-7(4)9-11-10-8(12-9)6(2)3/h6-7H,5H2,1-4H3
InChIKeyUZQKWJKUUFREJT-UHFFFAOYSA-N
XLogP2.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-butan-2-yl-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-butan-2-yl-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-butan-2-yl-5-propan-2-yl-1,3,4-oxadiazole (CID 20605524) is 2-butan-2-yl-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-butan-2-yl-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-butan-2-yl-5-propan-2-yl-1,3,4-oxadiazole is CCC(C)c1nnc(C(C)C)o1.
What is the InChIKey of 2-butan-2-yl-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is UZQKWJKUUFREJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-5-7(4)9-11-10-8(12-9)6(2)3/h6-7H,5H2,1-4H3.
What are the key properties of 2-butan-2-yl-5-propan-2-yl-1,3,4-oxadiazole?
2-butan-2-yl-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 168.24 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 20605524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).