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

C11H13N3O — CID 14024498

IUPAC1-(5-phenyl-1,2,4-oxadiazol-3-yl)propan-1-amine
SMILESCCC(N)c1noc(-c2ccccc2)n1
InChIInChI=1S/C11H13N3O/c1-2-9(12)10-13-11(15-14-10)8-6-4-3-5-7-8/h3-7,9H,2,12H2,1H3
InChIKeyJNZYYAGGRFIMPQ-UHFFFAOYSA-N
MW203.25 g/mol
LogP2.15
Rot. Bonds3

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

1-(5-phenyl-1,2,4-oxadiazol-3-yl)propan-1-amine (PubChem CID 14024498) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-(5-phenyl-1,2,4-oxadiazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-phenyl-1,2,4-oxadiazol-3-yl)propan-1-amine
PubChem CID14024498
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1-(5-phenyl-1,2,4-oxadiazol-3-yl)propan-1-amine
SMILESCCC(N)c1noc(-c2ccccc2)n1
InChIInChI=1S/C11H13N3O/c1-2-9(12)10-13-11(15-14-10)8-6-4-3-5-7-8/h3-7,9H,2,12H2,1H3
InChIKeyJNZYYAGGRFIMPQ-UHFFFAOYSA-N
XLogP2.15
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-phenyl-1,2,4-oxadiazol-3-yl)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

Related Compounds

1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61323780
1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61323577
1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75481811
(5-phenyl-1,2,4-oxadiazol-3-yl)methanediol
CID 12569999
1-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325210
1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 107099594
1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 55100160
1-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 107983725
1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227723
2-morpholin-4-yl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104636155
2-ethoxy-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 113435421
1-[5-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61323783

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,2,4-oxadiazol-3-yl)propan-1-amine?
The IUPAC name of 1-(5-phenyl-1,2,4-oxadiazol-3-yl)propan-1-amine (CID 14024498) is 1-(5-phenyl-1,2,4-oxadiazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(5-phenyl-1,2,4-oxadiazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(5-phenyl-1,2,4-oxadiazol-3-yl)propan-1-amine is CCC(N)c1noc(-c2ccccc2)n1.
What is the InChIKey of 1-(5-phenyl-1,2,4-oxadiazol-3-yl)propan-1-amine?
The InChIKey is JNZYYAGGRFIMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-9(12)10-13-11(15-14-10)8-6-4-3-5-7-8/h3-7,9H,2,12H2,1H3.
What are the key properties of 1-(5-phenyl-1,2,4-oxadiazol-3-yl)propan-1-amine?
1-(5-phenyl-1,2,4-oxadiazol-3-yl)propan-1-amine has a molecular weight of 203.25 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,2,4-oxadiazol-3-yl)propan-1-amine is sourced from PubChem (CID 14024498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).