3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine

C20H15N3O — CID 69006280

IUPAC3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(-c3ccccc3)cc2)c1-c1ccncc1
InChIInChI=1S/C20H15N3O/c21-20-18(16-10-12-22-13-11-16)19(23-24-20)17-8-6-15(7-9-17)14-4-2-1-3-5-14/h1-13H,21H2
InChIKeyXXGBCMUHKUEAAI-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.65
Rot. Bonds3

About 3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine

3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine (PubChem CID 69006280) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
PubChem CID69006280
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(-c3ccccc3)cc2)c1-c1ccncc1
InChIInChI=1S/C20H15N3O/c21-20-18(16-10-12-22-13-11-16)19(23-24-20)17-8-6-15(7-9-17)14-4-2-1-3-5-14/h1-13H,21H2
InChIKeyXXGBCMUHKUEAAI-UHFFFAOYSA-N
XLogP4.65
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine (CID 69006280) is 3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine is Nc1onc(-c2ccc(-c3ccccc3)cc2)c1-c1ccncc1.
What is the InChIKey of 3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The InChIKey is XXGBCMUHKUEAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c21-20-18(16-10-12-22-13-11-16)19(23-24-20)17-8-6-15(7-9-17)14-4-2-1-3-5-14/h1-13H,21H2.
What are the key properties of 3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine has a molecular weight of 313.36 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 69006280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).