4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine

C11H14N4O — CID 63347367

IUPAC4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCC(N)CCc1nc(-c2ccncc2)no1
InChIInChI=1S/C11H14N4O/c1-8(12)2-3-10-14-11(15-16-10)9-4-6-13-7-5-9/h4-8H,2-3,12H2,1H3
InChIKeyJKZJGNFAKTZINO-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.41
Rot. Bonds4

About 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine

4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine (PubChem CID 63347367) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
PubChem CID63347367
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCC(N)CCc1nc(-c2ccncc2)no1
InChIInChI=1S/C11H14N4O/c1-8(12)2-3-10-14-11(15-16-10)9-4-6-13-7-5-9/h4-8H,2-3,12H2,1H3
InChIKeyJKZJGNFAKTZINO-UHFFFAOYSA-N
XLogP1.41
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine 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

3,3-dimethyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63347365
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63348158
N-propan-2-yl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 54924301
4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63348448
4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63349162
4-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 106950836
4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63949082
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 37134678
2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 174569483
2-[methyl-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid
CID 119358642
1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630127
1-cyclopropyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 55203184

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The IUPAC name of 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine (CID 63347367) is 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine.
What is the SMILES notation for 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The canonical SMILES for 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine is CC(N)CCc1nc(-c2ccncc2)no1.
What is the InChIKey of 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The InChIKey is JKZJGNFAKTZINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8(12)2-3-10-14-11(15-16-10)9-4-6-13-7-5-9/h4-8H,2-3,12H2,1H3.
What are the key properties of 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine has a molecular weight of 218.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 63347367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).