N-[(3-fluorophenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide

C26H23FN2O3 — CID 20916684

About N-[(3-fluorophenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide

N-[(3-fluorophenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide (PubChem CID 20916684) has the molecular formula C26H23FN2O3 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[(3-fluorophenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
• PubChem CID: 20916684
• Molecular Formula: C26H23FN2O3
• Molecular Weight: 430.48 g/mol
• Exact Mass: 430.17
• IUPAC Name: N-[(3-fluorophenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
• SMILES: Cc1ccc(OCc2nc(-c3ccc(C(=O)NCc4cccc(F)c4)cc3)oc2C)cc1
• InChI: InChI=1S/C26H23FN2O3/c1-17-6-12-23(13-7-17)31-16-24-18(2)32-26(29-24)21-10-8-20(9-11-21)25(30)28-15-19-4-3-5-22(27)14-19/h3-14H,15-16H2,1-2H3,(H,28,30)
• InChIKey: MKWUONZGWMLAMC-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.48
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(3-fluorophenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide (CID 20916684) is N-[(3-fluorophenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide.

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

The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide is Cc1ccc(OCc2nc(-c3ccc(C(=O)NCc4cccc(F)c4)cc3)oc2C)cc1.

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

The InChIKey is MKWUONZGWMLAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O3/c1-17-6-12-23(13-7-17)31-16-24-18(2)32-26(29-24)21-10-8-20(9-11-21)25(30)28-15-19-4-3-5-22(27)14-19/h3-14H,15-16H2,1-2H3,(H,28,30).

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

N-[(3-fluorophenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide has a molecular weight of 430.48 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-fluorophenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 20916684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).