N-(3-phenylphenyl)-1,2-benzoxazol-3-amine

C19H14N2O — CID 45484883

IUPACN-(3-phenylphenyl)-1,2-benzoxazol-3-amine
SMILESc1ccc(-c2cccc(Nc3noc4ccccc34)c2)cc1
InChIInChI=1S/C19H14N2O/c1-2-7-14(8-3-1)15-9-6-10-16(13-15)20-19-17-11-4-5-12-18(17)22-21-19/h1-13H,(H,20,21)
InChIKeyRPYFHXRGVNEECB-UHFFFAOYSA-N
MW286.33 g/mol
LogP5.24
Rot. Bonds3

About N-(3-phenylphenyl)-1,2-benzoxazol-3-amine

N-(3-phenylphenyl)-1,2-benzoxazol-3-amine (PubChem CID 45484883) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(3-phenylphenyl)-1,2-benzoxazol-3-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-1,2-benzoxazol-3-amine
PubChem CID45484883
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC NameN-(3-phenylphenyl)-1,2-benzoxazol-3-amine
SMILESc1ccc(-c2cccc(Nc3noc4ccccc34)c2)cc1
InChIInChI=1S/C19H14N2O/c1-2-7-14(8-3-1)15-9-6-10-16(13-15)20-19-17-11-4-5-12-18(17)22-21-19/h1-13H,(H,20,21)
InChIKeyRPYFHXRGVNEECB-UHFFFAOYSA-N
XLogP5.24
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.33
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-phenylphenyl)-1,2-benzoxazol-3-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 N-(3-phenylphenyl)-1,2-benzoxazol-3-amine?
The IUPAC name of N-(3-phenylphenyl)-1,2-benzoxazol-3-amine (CID 45484883) is N-(3-phenylphenyl)-1,2-benzoxazol-3-amine.
What is the SMILES notation for N-(3-phenylphenyl)-1,2-benzoxazol-3-amine?
The canonical SMILES for N-(3-phenylphenyl)-1,2-benzoxazol-3-amine is c1ccc(-c2cccc(Nc3noc4ccccc34)c2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-1,2-benzoxazol-3-amine?
The InChIKey is RPYFHXRGVNEECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c1-2-7-14(8-3-1)15-9-6-10-16(13-15)20-19-17-11-4-5-12-18(17)22-21-19/h1-13H,(H,20,21).
What are the key properties of N-(3-phenylphenyl)-1,2-benzoxazol-3-amine?
N-(3-phenylphenyl)-1,2-benzoxazol-3-amine has a molecular weight of 286.33 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-1,2-benzoxazol-3-amine is sourced from PubChem (CID 45484883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).