N-(3-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine

C21H16N2O2 — CID 5329846

IUPACN-(3-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
SMILESc1ccc(Oc2cccc(Nc3ncc(-c4ccccc4)o3)c2)cc1
InChIInChI=1S/C21H16N2O2/c1-3-8-16(9-4-1)20-15-22-21(25-20)23-17-10-7-13-19(14-17)24-18-11-5-2-6-12-18/h1-15H,(H,22,23)
InChIKeyJTIZQZSOCSALNJ-UHFFFAOYSA-N
MW328.37 g/mol
LogP5.88
Rot. Bonds5

About N-(3-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine

N-(3-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine (PubChem CID 5329846) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(3-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(3-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
PubChem CID5329846
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC NameN-(3-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
SMILESc1ccc(Oc2cccc(Nc3ncc(-c4ccccc4)o3)c2)cc1
InChIInChI=1S/C21H16N2O2/c1-3-8-16(9-4-1)20-15-22-21(25-20)23-17-10-7-13-19(14-17)24-18-11-5-2-6-12-18/h1-15H,(H,22,23)
InChIKeyJTIZQZSOCSALNJ-UHFFFAOYSA-N
XLogP5.88
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.37
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-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-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine?
The IUPAC name of N-(3-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine (CID 5329846) is N-(3-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine.
What is the SMILES notation for N-(3-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine?
The canonical SMILES for N-(3-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine is c1ccc(Oc2cccc(Nc3ncc(-c4ccccc4)o3)c2)cc1.
What is the InChIKey of N-(3-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine?
The InChIKey is JTIZQZSOCSALNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-3-8-16(9-4-1)20-15-22-21(25-20)23-17-10-7-13-19(14-17)24-18-11-5-2-6-12-18/h1-15H,(H,22,23).
What are the key properties of N-(3-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine?
N-(3-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine has a molecular weight of 328.37 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine is sourced from PubChem (CID 5329846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).