5-phenyl-1,3-benzoxazol-7-amine

C13H10N2O — CID 82230574

IUPAC5-phenyl-1,3-benzoxazol-7-amine
SMILESNc1cc(-c2ccccc2)cc2ncoc12
InChIInChI=1S/C13H10N2O/c14-11-6-10(9-4-2-1-3-5-9)7-12-13(11)16-8-15-12/h1-8H,14H2
InChIKeyPIABANTUZCOEPB-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.08
Rot. Bonds1

About 5-phenyl-1,3-benzoxazol-7-amine

5-phenyl-1,3-benzoxazol-7-amine (PubChem CID 82230574) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-phenyl-1,3-benzoxazol-7-amine.

Molecular Properties

Compound Name5-phenyl-1,3-benzoxazol-7-amine
PubChem CID82230574
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name5-phenyl-1,3-benzoxazol-7-amine
SMILESNc1cc(-c2ccccc2)cc2ncoc12
InChIInChI=1S/C13H10N2O/c14-11-6-10(9-4-2-1-3-5-9)7-12-13(11)16-8-15-12/h1-8H,14H2
InChIKeyPIABANTUZCOEPB-UHFFFAOYSA-N
XLogP3.08
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-phenyl-1,3-benzoxazol-7-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 5-phenyl-1,3-benzoxazol-7-amine?
The IUPAC name of 5-phenyl-1,3-benzoxazol-7-amine (CID 82230574) is 5-phenyl-1,3-benzoxazol-7-amine.
What is the SMILES notation for 5-phenyl-1,3-benzoxazol-7-amine?
The canonical SMILES for 5-phenyl-1,3-benzoxazol-7-amine is Nc1cc(-c2ccccc2)cc2ncoc12.
What is the InChIKey of 5-phenyl-1,3-benzoxazol-7-amine?
The InChIKey is PIABANTUZCOEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c14-11-6-10(9-4-2-1-3-5-9)7-12-13(11)16-8-15-12/h1-8H,14H2.
What are the key properties of 5-phenyl-1,3-benzoxazol-7-amine?
5-phenyl-1,3-benzoxazol-7-amine has a molecular weight of 210.24 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,3-benzoxazol-7-amine is sourced from PubChem (CID 82230574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).