3-[(4-phenylphenyl)methyl]-2H-1,2-oxazol-3-amine

C16H16N2O — CID 70081595

IUPAC3-[(4-phenylphenyl)methyl]-2H-1,2-oxazol-3-amine
SMILESNC1(Cc2ccc(-c3ccccc3)cc2)C=CON1
InChIInChI=1S/C16H16N2O/c17-16(10-11-19-18-16)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11,18H,12,17H2
InChIKeyFODOYNNVKBYQBZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.60
Rot. Bonds3

About 3-[(4-phenylphenyl)methyl]-2H-1,2-oxazol-3-amine

3-[(4-phenylphenyl)methyl]-2H-1,2-oxazol-3-amine (PubChem CID 70081595) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[(4-phenylphenyl)methyl]-2H-1,2-oxazol-3-amine.

Molecular Properties

Compound Name3-[(4-phenylphenyl)methyl]-2H-1,2-oxazol-3-amine
PubChem CID70081595
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3-[(4-phenylphenyl)methyl]-2H-1,2-oxazol-3-amine
SMILESNC1(Cc2ccc(-c3ccccc3)cc2)C=CON1
InChIInChI=1S/C16H16N2O/c17-16(10-11-19-18-16)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11,18H,12,17H2
InChIKeyFODOYNNVKBYQBZ-UHFFFAOYSA-N
XLogP2.60
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylphenyl)methyl]-2H-1,2-oxazol-3-amine?
The IUPAC name of 3-[(4-phenylphenyl)methyl]-2H-1,2-oxazol-3-amine (CID 70081595) is 3-[(4-phenylphenyl)methyl]-2H-1,2-oxazol-3-amine.
What is the SMILES notation for 3-[(4-phenylphenyl)methyl]-2H-1,2-oxazol-3-amine?
The canonical SMILES for 3-[(4-phenylphenyl)methyl]-2H-1,2-oxazol-3-amine is NC1(Cc2ccc(-c3ccccc3)cc2)C=CON1.
What is the InChIKey of 3-[(4-phenylphenyl)methyl]-2H-1,2-oxazol-3-amine?
The InChIKey is FODOYNNVKBYQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c17-16(10-11-19-18-16)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11,18H,12,17H2.
What are the key properties of 3-[(4-phenylphenyl)methyl]-2H-1,2-oxazol-3-amine?
3-[(4-phenylphenyl)methyl]-2H-1,2-oxazol-3-amine has a molecular weight of 252.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylphenyl)methyl]-2H-1,2-oxazol-3-amine is sourced from PubChem (CID 70081595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).