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

C22H22F2N2O2 — CID 46691167

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

N-[1-(4-fluorophenyl)-2-methylpropyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 46691167) has the molecular formula C22H22F2N2O2 and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[1-(4-fluorophenyl)-2-methylpropyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
• PubChem CID: 46691167
• Molecular Formula: C22H22F2N2O2
• Molecular Weight: 384.43 g/mol
• Exact Mass: 384.16
• IUPAC Name: N-[1-(4-fluorophenyl)-2-methylpropyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
• SMILES: CC(C)C(NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc(F)cc1
• InChI: InChI=1S/C22H22F2N2O2/c1-14(2)22(16-5-9-18(24)10-6-16)26-20(27)11-12-21-25-13-19(28-21)15-3-7-17(23)8-4-15/h3-10,13-14,22H,11-12H2,1-2H3,(H,26,27)
• InChIKey: UAZJTQVMMKRIKE-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.43
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 46691167) is N-[1-(4-fluorophenyl)-2-methylpropyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

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

The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is CC(C)C(NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc(F)cc1.

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

The InChIKey is UAZJTQVMMKRIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O2/c1-14(2)22(16-5-9-18(24)10-6-16)26-20(27)11-12-21-25-13-19(28-21)15-3-7-17(23)8-4-15/h3-10,13-14,22H,11-12H2,1-2H3,(H,26,27).

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

N-[1-(4-fluorophenyl)-2-methylpropyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 384.43 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-fluorophenyl)-2-methylpropyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 46691167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).