[3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine

C13H15N3O — CID 117330765

IUPAC[3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2cccc(C3CCC3)c2)no1
InChIInChI=1S/C13H15N3O/c14-8-12-15-13(16-17-12)11-6-2-5-10(7-11)9-3-1-4-9/h2,5-7,9H,1,3-4,8,14H2
InChIKeyPCQXGGNJPIBZCS-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.46
Rot. Bonds3

About [3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117330765) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117330765
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2cccc(C3CCC3)c2)no1
InChIInChI=1S/C13H15N3O/c14-8-12-15-13(16-17-12)11-6-2-5-10(7-11)9-3-1-4-9/h2,5-7,9H,1,3-4,8,14H2
InChIKeyPCQXGGNJPIBZCS-UHFFFAOYSA-N
XLogP2.46
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine 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-cyclobutyloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117364923
[3-[3-(oxan-4-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117440122
[3-[3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117312143
[3-[3-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117465934
[3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117360199
[3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 43839720
[3-[3-(1,3-oxazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117357252
3-(3-chlorophenyl)-5-[[(3R)-3-phenylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 29084359
[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117438451
acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 145151193
(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methanamine
CID 64982066
[3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115112723

Frequently Asked Questions

What is the IUPAC name of [3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117330765) is [3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(-c2cccc(C3CCC3)c2)no1.
What is the InChIKey of [3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is PCQXGGNJPIBZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-8-12-15-13(16-17-12)11-6-2-5-10(7-11)9-3-1-4-9/h2,5-7,9H,1,3-4,8,14H2.
What are the key properties of [3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 229.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117330765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).