N-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C33H32F3N7O3 — CID 67391344

About N-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 67391344) has the molecular formula C33H32F3N7O3 and a molecular weight of 631.66 g/mol. Its IUPAC name is N-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• PubChem CID: 67391344
• Molecular Formula: C33H32F3N7O3
• Molecular Weight: 631.66 g/mol
• Exact Mass: 631.25
• IUPAC Name: N-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• SMILES: Cc1ccc2oc(N3CCN(c4ccc(NC(=O)c5oc(N6CCC(c7ccccc7)CC6)nc5C(F)(F)F)cn4)CC3)nc2c1
• InChI: InChI=1S/C33H32F3N7O3/c1-21-7-9-26-25(19-21)39-31(45-26)43-17-15-41(16-18-43)27-10-8-24(20-37-27)38-30(44)28-29(33(34,35)36)40-32(46-28)42-13-11-23(12-14-42)22-5-3-2-4-6-22/h2-10,19-20,23H,11-18H2,1H3,(H,38,44)
• InChIKey: AJVJYFRBAZDGDI-UHFFFAOYSA-N
• XLogP: 6.50
• TPSA: 103.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.66
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The IUPAC name of N-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 67391344) is N-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is Cc1ccc2oc(N3CCN(c4ccc(NC(=O)c5oc(N6CCC(c7ccccc7)CC6)nc5C(F)(F)F)cn4)CC3)nc2c1.

What is the InChIKey of N-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The InChIKey is AJVJYFRBAZDGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F3N7O3/c1-21-7-9-26-25(19-21)39-31(45-26)43-17-15-41(16-18-43)27-10-8-24(20-37-27)38-30(44)28-29(33(34,35)36)40-32(46-28)42-13-11-23(12-14-42)22-5-3-2-4-6-22/h2-10,19-20,23H,11-18H2,1H3,(H,38,44).

What are the key properties of N-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

N-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 631.66 g/mol, XLogP of 6.50, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 67391344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).