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

C13H15N3O2 — CID 117364923

IUPAC[3-(3-cyclobutyloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2cccc(OC3CCC3)c2)no1
InChIInChI=1S/C13H15N3O2/c14-8-12-15-13(16-18-12)9-3-1-6-11(7-9)17-10-4-2-5-10/h1,3,6-7,10H,2,4-5,8,14H2
InChIKeyYZJQYGPRZSWTDW-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.13
Rot. Bonds4

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

[3-(3-cyclobutyloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117364923) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is [3-(3-cyclobutyloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(3-cyclobutyloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117364923
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name[3-(3-cyclobutyloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2cccc(OC3CCC3)c2)no1
InChIInChI=1S/C13H15N3O2/c14-8-12-15-13(16-18-12)9-3-1-6-11(7-9)17-10-4-2-5-10/h1,3,6-7,10H,2,4-5,8,14H2
InChIKeyYZJQYGPRZSWTDW-UHFFFAOYSA-N
XLogP2.13
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(3-cyclobutyloxyphenyl)-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-(oxan-4-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117440122
[3-[3-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117465934
[3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117330765
[3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 43839720
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483329
[3-[3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117312143
5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895516
2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008142
[3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115112723
(3-isoquinolin-6-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 117325171
[3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117360199
[3-[3-(1,3-oxazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117357252

Frequently Asked Questions

What is the IUPAC name of [3-(3-cyclobutyloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(3-cyclobutyloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117364923) is [3-(3-cyclobutyloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(3-cyclobutyloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(3-cyclobutyloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(-c2cccc(OC3CCC3)c2)no1.
What is the InChIKey of [3-(3-cyclobutyloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is YZJQYGPRZSWTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-8-12-15-13(16-18-12)9-3-1-6-11(7-9)17-10-4-2-5-10/h1,3,6-7,10H,2,4-5,8,14H2.
What are the key properties of [3-(3-cyclobutyloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(3-cyclobutyloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 245.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-cyclobutyloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117364923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).