2-(4-phenylphenyl)-1,3-benzoxazol-5-amine

C19H14N2O — CID 721126

IUPAC2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1
InChIInChI=1S/C19H14N2O/c20-16-10-11-18-17(12-16)21-19(22-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,20H2
InChIKeyIANOMZFWVQGEPK-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.74
Rot. Bonds2

About 2-(4-phenylphenyl)-1,3-benzoxazol-5-amine

2-(4-phenylphenyl)-1,3-benzoxazol-5-amine (PubChem CID 721126) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
PubChem CID721126
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1
InChIInChI=1S/C19H14N2O/c20-16-10-11-18-17(12-16)21-19(22-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,20H2
InChIKeyIANOMZFWVQGEPK-UHFFFAOYSA-N
XLogP4.74
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(4-phenylphenyl)-1,3-benzoxazol-5-amine (CID 721126) is 2-(4-phenylphenyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(4-phenylphenyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(4-phenylphenyl)-1,3-benzoxazol-5-amine is Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1.
What is the InChIKey of 2-(4-phenylphenyl)-1,3-benzoxazol-5-amine?
The InChIKey is IANOMZFWVQGEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c20-16-10-11-18-17(12-16)21-19(22-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,20H2.
What are the key properties of 2-(4-phenylphenyl)-1,3-benzoxazol-5-amine?
2-(4-phenylphenyl)-1,3-benzoxazol-5-amine has a molecular weight of 286.33 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 721126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).