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

C33H32F4N6O3 — CID 46212575

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

N-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46212575) has the molecular formula C33H32F4N6O3 and a molecular weight of 636.65 g/mol. Its IUPAC name is N-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• PubChem CID: 46212575
• Molecular Formula: C33H32F4N6O3
• Molecular Weight: 636.65 g/mol
• Exact Mass: 636.25
• IUPAC Name: N-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• SMILES: O=C(CN1CCN(c2ccc(NC(=O)c3oc(N4CCC(c5ccccc5)CC4)nc3C(F)(F)F)cn2)CC1)c1ccccc1F
• InChI: InChI=1S/C33H32F4N6O3/c34-26-9-5-4-8-25(26)27(44)21-41-16-18-42(19-17-41)28-11-10-24(20-38-28)39-31(45)29-30(33(35,36)37)40-32(46-29)43-14-12-23(13-15-43)22-6-2-1-3-7-22/h1-11,20,23H,12-19,21H2,(H,39,45)
• InChIKey: HUGWMWVKEGKMQQ-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 94.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.65
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46212575) is N-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]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-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(CN1CCN(c2ccc(NC(=O)c3oc(N4CCC(c5ccccc5)CC4)nc3C(F)(F)F)cn2)CC1)c1ccccc1F.

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

The InChIKey is HUGWMWVKEGKMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F4N6O3/c34-26-9-5-4-8-25(26)27(44)21-41-16-18-42(19-17-41)28-11-10-24(20-38-28)39-31(45)29-30(33(35,36)37)40-32(46-29)43-14-12-23(13-15-43)22-6-2-1-3-7-22/h1-11,20,23H,12-19,21H2,(H,39,45).

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

N-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 636.65 g/mol, XLogP of 5.87, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46212575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).