4-(5-methyl-1,2,4-oxadiazol-3-yl)butanenitrile

C7H9N3O — CID 83872495

IUPAC4-(5-methyl-1,2,4-oxadiazol-3-yl)butanenitrile
SMILESCc1nc(CCCC#N)no1
InChIInChI=1S/C7H9N3O/c1-6-9-7(10-11-6)4-2-3-5-8/h2-4H2,1H3
InChIKeyMLTHQQYOBIXGTK-UHFFFAOYSA-N
MW151.17 g/mol
LogP1.22
Rot. Bonds3

About 4-(5-methyl-1,2,4-oxadiazol-3-yl)butanenitrile

4-(5-methyl-1,2,4-oxadiazol-3-yl)butanenitrile (PubChem CID 83872495) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 4-(5-methyl-1,2,4-oxadiazol-3-yl)butanenitrile.

Molecular Properties

Compound Name4-(5-methyl-1,2,4-oxadiazol-3-yl)butanenitrile
PubChem CID83872495
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name4-(5-methyl-1,2,4-oxadiazol-3-yl)butanenitrile
SMILESCc1nc(CCCC#N)no1
InChIInChI=1S/C7H9N3O/c1-6-9-7(10-11-6)4-2-3-5-8/h2-4H2,1H3
InChIKeyMLTHQQYOBIXGTK-UHFFFAOYSA-N
XLogP1.22
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(5-methyl-1,2,4-oxadiazol-3-yl)butanenitrile 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-(3-ethyl-1,2,4-oxadiazol-5-yl)butanenitrile
CID 106523822
4-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-amine
CID 83872807
4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524226
4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106525870
4-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106525720
4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524629
ethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 143984808
4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106527426
(2S)-2-[[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile
CID 98775213
5-methyl-3-(2-methylbutyl)-1,2,4-oxadiazole
CID 89019114
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]acetonitrile
CID 107911565
5-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonyl]pentanenitrile
CID 87023165

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,2,4-oxadiazol-3-yl)butanenitrile?
The IUPAC name of 4-(5-methyl-1,2,4-oxadiazol-3-yl)butanenitrile (CID 83872495) is 4-(5-methyl-1,2,4-oxadiazol-3-yl)butanenitrile.
What is the SMILES notation for 4-(5-methyl-1,2,4-oxadiazol-3-yl)butanenitrile?
The canonical SMILES for 4-(5-methyl-1,2,4-oxadiazol-3-yl)butanenitrile is Cc1nc(CCCC#N)no1.
What is the InChIKey of 4-(5-methyl-1,2,4-oxadiazol-3-yl)butanenitrile?
The InChIKey is MLTHQQYOBIXGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-6-9-7(10-11-6)4-2-3-5-8/h2-4H2,1H3.
What are the key properties of 4-(5-methyl-1,2,4-oxadiazol-3-yl)butanenitrile?
4-(5-methyl-1,2,4-oxadiazol-3-yl)butanenitrile has a molecular weight of 151.17 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,2,4-oxadiazol-3-yl)butanenitrile is sourced from PubChem (CID 83872495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).