(2-amino-6-phenylphenyl)-(1,2-benzoxazol-3-yl)methanone

C20H14N2O2 — CID 167437427

IUPAC(2-amino-6-phenylphenyl)-(1,2-benzoxazol-3-yl)methanone
SMILESNc1cccc(-c2ccccc2)c1C(=O)c1noc2ccccc12
InChIInChI=1S/C20H14N2O2/c21-16-11-6-10-14(13-7-2-1-3-8-13)18(16)20(23)19-15-9-4-5-12-17(15)24-22-19/h1-12H,21H2
InChIKeyKNQLUHJTKJYURL-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.31
Rot. Bonds3

About (2-amino-6-phenylphenyl)-(1,2-benzoxazol-3-yl)methanone

(2-amino-6-phenylphenyl)-(1,2-benzoxazol-3-yl)methanone (PubChem CID 167437427) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2-amino-6-phenylphenyl)-(1,2-benzoxazol-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-phenylphenyl)-(1,2-benzoxazol-3-yl)methanone
PubChem CID167437427
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name(2-amino-6-phenylphenyl)-(1,2-benzoxazol-3-yl)methanone
SMILESNc1cccc(-c2ccccc2)c1C(=O)c1noc2ccccc12
InChIInChI=1S/C20H14N2O2/c21-16-11-6-10-14(13-7-2-1-3-8-13)18(16)20(23)19-15-9-4-5-12-17(15)24-22-19/h1-12H,21H2
InChIKeyKNQLUHJTKJYURL-UHFFFAOYSA-N
XLogP4.31
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (2-amino-6-phenylphenyl)-(1,2-benzoxazol-3-yl)methanone 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 (2-amino-6-phenylphenyl)-(1,2-benzoxazol-3-yl)methanone?
The IUPAC name of (2-amino-6-phenylphenyl)-(1,2-benzoxazol-3-yl)methanone (CID 167437427) is (2-amino-6-phenylphenyl)-(1,2-benzoxazol-3-yl)methanone.
What is the SMILES notation for (2-amino-6-phenylphenyl)-(1,2-benzoxazol-3-yl)methanone?
The canonical SMILES for (2-amino-6-phenylphenyl)-(1,2-benzoxazol-3-yl)methanone is Nc1cccc(-c2ccccc2)c1C(=O)c1noc2ccccc12.
What is the InChIKey of (2-amino-6-phenylphenyl)-(1,2-benzoxazol-3-yl)methanone?
The InChIKey is KNQLUHJTKJYURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c21-16-11-6-10-14(13-7-2-1-3-8-13)18(16)20(23)19-15-9-4-5-12-17(15)24-22-19/h1-12H,21H2.
What are the key properties of (2-amino-6-phenylphenyl)-(1,2-benzoxazol-3-yl)methanone?
(2-amino-6-phenylphenyl)-(1,2-benzoxazol-3-yl)methanone has a molecular weight of 314.34 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-phenylphenyl)-(1,2-benzoxazol-3-yl)methanone is sourced from PubChem (CID 167437427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).