N-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C28H31F3N6O4 — CID 46207542

About N-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46207542) has the molecular formula C28H31F3N6O4 and a molecular weight of 572.59 g/mol. Its IUPAC name is N-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• PubChem CID: 46207542
• Molecular Formula: C28H31F3N6O4
• Molecular Weight: 572.59 g/mol
• Exact Mass: 572.24
• IUPAC Name: N-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• SMILES: CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCN(C(=O)[C@H](O)c5ccccc5)CC4)nc3)o2)C1
• InChI: InChI=1S/C28H31F3N6O4/c1-18-6-5-11-37(17-18)27-34-24(28(29,30)31)23(41-27)25(39)33-20-9-10-21(32-16-20)35-12-14-36(15-13-35)26(40)22(38)19-7-3-2-4-8-19/h2-4,7-10,16,18,22,38H,5-6,11-15,17H2,1H3,(H,33,39)/t18?,22-/m1/s1
• InChIKey: GIMAFRKXJCHMBC-LMNIDFBRSA-N
• XLogP: 3.96
• TPSA: 115.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.59
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The IUPAC name of N-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46207542) is N-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCN(C(=O)[C@H](O)c5ccccc5)CC4)nc3)o2)C1.

What is the InChIKey of N-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The InChIKey is GIMAFRKXJCHMBC-LMNIDFBRSA-N. The full InChI is InChI=1S/C28H31F3N6O4/c1-18-6-5-11-37(17-18)27-34-24(28(29,30)31)23(41-27)25(39)33-20-9-10-21(32-16-20)35-12-14-36(15-13-35)26(40)22(38)19-7-3-2-4-8-19/h2-4,7-10,16,18,22,38H,5-6,11-15,17H2,1H3,(H,33,39)/t18?,22-/m1/s1.

What are the key properties of N-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

N-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 572.59 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46207542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).