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

C32H29F5N6O3 — CID 58428844

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

N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 58428844) has the molecular formula C32H29F5N6O3 and a molecular weight of 640.61 g/mol. Its IUPAC name is N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• PubChem CID: 58428844
• Molecular Formula: C32H29F5N6O3
• Molecular Weight: 640.61 g/mol
• Exact Mass: 640.22
• IUPAC Name: N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• SMILES: O=C(Nc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1)c1oc(N2CCC(c3cccc(F)c3)C2)nc1C(F)(F)F
• InChI: InChI=1S/C32H29F5N6O3/c33-23-6-3-5-20(16-23)22-10-11-43(19-22)31-40-29(32(35,36)37)28(46-31)30(45)39-24-8-9-26(38-18-24)41-12-14-42(15-13-41)27(44)17-21-4-1-2-7-25(21)34/h1-9,16,18,22H,10-15,17,19H2,(H,39,45)
• InChIKey: BUDYOAOBGTUXBN-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 94.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.61
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 58428844) is N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

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

The canonical SMILES for N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1)c1oc(N2CCC(c3cccc(F)c3)C2)nc1C(F)(F)F.

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

The InChIKey is BUDYOAOBGTUXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F5N6O3/c33-23-6-3-5-20(16-23)22-10-11-43(19-22)31-40-29(32(35,36)37)28(46-31)30(45)39-24-8-9-26(38-18-24)41-12-14-42(15-13-41)27(44)17-21-4-1-2-7-25(21)34/h1-9,16,18,22H,10-15,17,19H2,(H,39,45).

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

N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 640.61 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 58428844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).