3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine

C12H15N3O — CID 170867952

IUPAC3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine
SMILESCc1nc(-c2ccc(CCCN)cc2)no1
InChIInChI=1S/C12H15N3O/c1-9-14-12(15-16-9)11-6-4-10(5-7-11)3-2-8-13/h4-7H,2-3,8,13H2,1H3
InChIKeyNHKHAZCONOZWAF-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.94
Rot. Bonds4

About 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine

3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine (PubChem CID 170867952) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine
PubChem CID170867952
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine
SMILESCc1nc(-c2ccc(CCCN)cc2)no1
InChIInChI=1S/C12H15N3O/c1-9-14-12(15-16-9)11-6-4-10(5-7-11)3-2-8-13/h4-7H,2-3,8,13H2,1H3
InChIKeyNHKHAZCONOZWAF-UHFFFAOYSA-N
XLogP1.94
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine?
The IUPAC name of 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine (CID 170867952) is 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine?
The canonical SMILES for 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine is Cc1nc(-c2ccc(CCCN)cc2)no1.
What is the InChIKey of 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine?
The InChIKey is NHKHAZCONOZWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-14-12(15-16-9)11-6-4-10(5-7-11)3-2-8-13/h4-7H,2-3,8,13H2,1H3.
What are the key properties of 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine?
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine has a molecular weight of 217.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine is sourced from PubChem (CID 170867952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).