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

C9H9N3O — CID 39869198

IUPAC[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nnco2)cc1
InChIInChI=1S/C9H9N3O/c10-5-7-1-3-8(4-2-7)9-12-11-6-13-9/h1-4,6H,5,10H2
InChIKeyLXYQJBCWBCAIEY-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.20
Rot. Bonds2

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

[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine (PubChem CID 39869198) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is [4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine
PubChem CID39869198
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nnco2)cc1
InChIInChI=1S/C9H9N3O/c10-5-7-1-3-8(4-2-7)9-12-11-6-13-9/h1-4,6H,5,10H2
InChIKeyLXYQJBCWBCAIEY-UHFFFAOYSA-N
XLogP1.20
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine 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 [4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine?
The IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine (CID 39869198) is [4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine is NCc1ccc(-c2nnco2)cc1.
What is the InChIKey of [4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine?
The InChIKey is LXYQJBCWBCAIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-5-7-1-3-8(4-2-7)9-12-11-6-13-9/h1-4,6H,5,10H2.
What are the key properties of [4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine?
[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine has a molecular weight of 175.19 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 39869198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).