N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-3,4-dihydro-2H-pyridin-1-yl]-1,3-oxazole-5-carboxamide

C27H24F7N7O3 — CID 149376339

About N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-3,4-dihydro-2H-pyridin-1-yl]-1,3-oxazole-5-carboxamide

N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-3,4-dihydro-2H-pyridin-1-yl]-1,3-oxazole-5-carboxamide (PubChem CID 149376339) has the molecular formula C27H24F7N7O3 and a molecular weight of 627.52 g/mol. Its IUPAC name is N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-3,4-dihydro-2H-pyridin-1-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-3,4-dihydro-2H-pyridin-1-yl]-1,3-oxazole-5-carboxamide
• PubChem CID: 149376339
• Molecular Formula: C27H24F7N7O3
• Molecular Weight: 627.52 g/mol
• Exact Mass: 627.18
• IUPAC Name: N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-3,4-dihydro-2H-pyridin-1-yl]-1,3-oxazole-5-carboxamide
• SMILES: O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1oc(N2C=CC(C(F)(F)F)CC2)nc1C(F)(F)F
• InChI: InChI=1S/C27H24F7N7O3/c28-18-3-1-2-4-19(18)37-24(43)40-13-11-39(12-14-40)20-6-5-17(15-35-20)36-23(42)21-22(27(32,33)34)38-25(44-21)41-9-7-16(8-10-41)26(29,30)31/h1-7,9,15-16H,8,10-14H2,(H,36,42)(H,37,43)
• InChIKey: YKUMBYOEOHOTNK-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 106.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.52
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-3,4-dihydro-2H-pyridin-1-yl]-1,3-oxazole-5-carboxamide (CID 149376339) is N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-3,4-dihydro-2H-pyridin-1-yl]-1,3-oxazole-5-carboxamide.

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

The canonical SMILES for N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-3,4-dihydro-2H-pyridin-1-yl]-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1oc(N2C=CC(C(F)(F)F)CC2)nc1C(F)(F)F.

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

The InChIKey is YKUMBYOEOHOTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F7N7O3/c28-18-3-1-2-4-19(18)37-24(43)40-13-11-39(12-14-40)20-6-5-17(15-35-20)36-23(42)21-22(27(32,33)34)38-25(44-21)41-9-7-16(8-10-41)26(29,30)31/h1-7,9,15-16H,8,10-14H2,(H,36,42)(H,37,43).

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

N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-3,4-dihydro-2H-pyridin-1-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 627.52 g/mol, XLogP of 5.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-2-[4-(trifluoromethyl)-3,4-dihydro-2H-pyridin-1-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 149376339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).