5-methyl-3-(2-methylbutyl)-1,2,4-oxadiazole

C8H14N2O — CID 89019114

IUPAC5-methyl-3-(2-methylbutyl)-1,2,4-oxadiazole
SMILESCCC(C)Cc1noc(C)n1
InChIInChI=1S/C8H14N2O/c1-4-6(2)5-8-9-7(3)11-10-8/h6H,4-5H2,1-3H3
InChIKeyBQPQCYJKLIZYRE-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.97
Rot. Bonds3

About 5-methyl-3-(2-methylbutyl)-1,2,4-oxadiazole

5-methyl-3-(2-methylbutyl)-1,2,4-oxadiazole (PubChem CID 89019114) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-methyl-3-(2-methylbutyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-(2-methylbutyl)-1,2,4-oxadiazole
PubChem CID89019114
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name5-methyl-3-(2-methylbutyl)-1,2,4-oxadiazole
SMILESCCC(C)Cc1noc(C)n1
InChIInChI=1S/C8H14N2O/c1-4-6(2)5-8-9-7(3)11-10-8/h6H,4-5H2,1-3H3
InChIKeyBQPQCYJKLIZYRE-UHFFFAOYSA-N
XLogP1.97
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methyl-3-(2-methylbutyl)-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

4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-amine
CID 163277320
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide
CID 130009449
ethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 143984808
(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 93243352
5-methyl-3-(2-methylpentan-3-yl)-1,2,4-oxadiazole
CID 91277135
(2R)-N-ethyl-1-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 94424318
3-methyl-5-(2-methylbutyl)-1,2-oxazole
CID 89112070
4-(5-methyl-1,2,4-oxadiazol-3-yl)butanenitrile
CID 83872495
N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 130626350
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine
CID 103931604
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine
CID 60877880
1-cyano-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide
CID 103850460

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylbutyl)-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-(2-methylbutyl)-1,2,4-oxadiazole (CID 89019114) is 5-methyl-3-(2-methylbutyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-(2-methylbutyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-(2-methylbutyl)-1,2,4-oxadiazole is CCC(C)Cc1noc(C)n1.
What is the InChIKey of 5-methyl-3-(2-methylbutyl)-1,2,4-oxadiazole?
The InChIKey is BQPQCYJKLIZYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-6(2)5-8-9-7(3)11-10-8/h6H,4-5H2,1-3H3.
What are the key properties of 5-methyl-3-(2-methylbutyl)-1,2,4-oxadiazole?
5-methyl-3-(2-methylbutyl)-1,2,4-oxadiazole has a molecular weight of 154.21 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylbutyl)-1,2,4-oxadiazole is sourced from PubChem (CID 89019114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).