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

C32H31F4N7O3 — CID 67390079

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

N-[6-[2-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]ethylamino]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 67390079) has the molecular formula C32H31F4N7O3 and a molecular weight of 637.64 g/mol. Its IUPAC name is N-[6-[2-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]ethylamino]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[2-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]ethylamino]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• PubChem CID: 67390079
• Molecular Formula: C32H31F4N7O3
• Molecular Weight: 637.64 g/mol
• Exact Mass: 637.24
• IUPAC Name: N-[6-[2-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]ethylamino]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• SMILES: O=C(Nc1ccc(NCCN2CCN(c3ccccc3F)C2=O)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F
• InChI: InChI=1S/C32H31F4N7O3/c33-24-8-4-5-9-25(24)43-19-18-42(31(43)45)17-14-37-26-11-10-23(20-38-26)39-29(44)27-28(32(34,35)36)40-30(46-27)41-15-12-22(13-16-41)21-6-2-1-3-7-21/h1-11,20,22H,12-19H2,(H,37,38)(H,39,44)
• InChIKey: BOTNDWBIIGWQDV-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 106.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.64
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[6-[2-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]ethylamino]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 67390079) is N-[6-[2-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]ethylamino]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

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

The canonical SMILES for N-[6-[2-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]ethylamino]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(NCCN2CCN(c3ccccc3F)C2=O)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F.

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

The InChIKey is BOTNDWBIIGWQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F4N7O3/c33-24-8-4-5-9-25(24)43-19-18-42(31(43)45)17-14-37-26-11-10-23(20-38-26)39-29(44)27-28(32(34,35)36)40-30(46-27)41-15-12-22(13-16-41)21-6-2-1-3-7-21/h1-11,20,22H,12-19H2,(H,37,38)(H,39,44).

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

N-[6-[2-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]ethylamino]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 637.64 g/mol, XLogP of 6.22, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]ethylamino]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 67390079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).