4-[4-(4-fluorophenyl)-5-phenyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine

C30H25FN4O2 — CID 72946275

About 4-[4-(4-fluorophenyl)-5-phenyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine

4-[4-(4-fluorophenyl)-5-phenyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (PubChem CID 72946275) has the molecular formula C30H25FN4O2 and a molecular weight of 492.55 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-5-phenyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 4-[4-(4-fluorophenyl)-5-phenyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
• PubChem CID: 72946275
• Molecular Formula: C30H25FN4O2
• Molecular Weight: 492.55 g/mol
• Exact Mass: 492.20
• IUPAC Name: 4-[4-(4-fluorophenyl)-5-phenyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
• SMILES: Fc1ccc(-c2c(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)c3)noc2-c2ccccc2)cc1
• InChI: InChI=1S/C30H25FN4O2/c31-24-8-6-21(7-9-24)28-29(34-37-30(28)22-4-2-1-3-5-22)23-14-15-32-27(20-23)33-25-10-12-26(13-11-25)35-16-18-36-19-17-35/h1-15,20H,16-19H2,(H,32,33)
• InChIKey: JPHFWHGEUJYIJJ-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 63.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.55
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-5-phenyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?

The IUPAC name of 4-[4-(4-fluorophenyl)-5-phenyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (CID 72946275) is 4-[4-(4-fluorophenyl)-5-phenyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.

What is the SMILES notation for 4-[4-(4-fluorophenyl)-5-phenyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?

The canonical SMILES for 4-[4-(4-fluorophenyl)-5-phenyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is Fc1ccc(-c2c(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)c3)noc2-c2ccccc2)cc1.

What is the InChIKey of 4-[4-(4-fluorophenyl)-5-phenyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?

The InChIKey is JPHFWHGEUJYIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN4O2/c31-24-8-6-21(7-9-24)28-29(34-37-30(28)22-4-2-1-3-5-22)23-14-15-32-27(20-23)33-25-10-12-26(13-11-25)35-16-18-36-19-17-35/h1-15,20H,16-19H2,(H,32,33).

What are the key properties of 4-[4-(4-fluorophenyl)-5-phenyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?

4-[4-(4-fluorophenyl)-5-phenyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine has a molecular weight of 492.55 g/mol, XLogP of 6.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4-fluorophenyl)-5-phenyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 72946275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).