4-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide

C25H25F3N4O4 — CID 168899525

About 4-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide

4-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 168899525) has the molecular formula C25H25F3N4O4 and a molecular weight of 502.49 g/mol. Its IUPAC name is 4-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 168899525
• Molecular Formula: C25H25F3N4O4
• Molecular Weight: 502.49 g/mol
• Exact Mass: 502.18
• IUPAC Name: 4-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: Cc1ccc(NC(=O)c2cc(N3CCC(O)CC3)cc(C(F)(F)F)c2)cc1-c1c(C(N)=O)noc1C
• InChI: InChI=1S/C25H25F3N4O4/c1-13-3-4-17(12-20(13)21-14(2)36-31-22(21)23(29)34)30-24(35)15-9-16(25(26,27)28)11-18(10-15)32-7-5-19(33)6-8-32/h3-4,9-12,19,33H,5-8H2,1-2H3,(H2,29,34)(H,30,35)
• InChIKey: DQVXAAYJPKEVFA-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 121.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.49
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of 4-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 168899525) is 4-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 4-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for 4-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1ccc(NC(=O)c2cc(N3CCC(O)CC3)cc(C(F)(F)F)c2)cc1-c1c(C(N)=O)noc1C.

What is the InChIKey of 4-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is DQVXAAYJPKEVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O4/c1-13-3-4-17(12-20(13)21-14(2)36-31-22(21)23(29)34)30-24(35)15-9-16(25(26,27)28)11-18(10-15)32-7-5-19(33)6-8-32/h3-4,9-12,19,33H,5-8H2,1-2H3,(H2,29,34)(H,30,35).

What are the key properties of 4-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide?

4-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 502.49 g/mol, XLogP of 4.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 168899525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).