N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide

C25H20F2N2O3 — CID 30839863

About N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide

N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 30839863) has the molecular formula C25H20F2N2O3 and a molecular weight of 434.44 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
• PubChem CID: 30839863
• Molecular Formula: C25H20F2N2O3
• Molecular Weight: 434.44 g/mol
• Exact Mass: 434.14
• IUPAC Name: N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
• SMILES: O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1cccc(OCc2ccc(F)cc2)c1
• InChI: InChI=1S/C25H20F2N2O3/c26-19-8-4-17(5-9-19)16-31-22-3-1-2-21(14-22)29-24(30)12-13-25-28-15-23(32-25)18-6-10-20(27)11-7-18/h1-11,14-15H,12-13,16H2,(H,29,30)
• InChIKey: LYKUMLBGEPMKAU-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.44
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?

The IUPAC name of N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 30839863) is N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

What is the SMILES notation for N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?

The canonical SMILES for N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1cccc(OCc2ccc(F)cc2)c1.

What is the InChIKey of N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?

The InChIKey is LYKUMLBGEPMKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O3/c26-19-8-4-17(5-9-19)16-31-22-3-1-2-21(14-22)29-24(30)12-13-25-28-15-23(32-25)18-6-10-20(27)11-7-18/h1-11,14-15H,12-13,16H2,(H,29,30).

What are the key properties of N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?

N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 434.44 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 30839863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).