N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C35H30F3N5O3 — CID 67293697

About N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 67293697) has the molecular formula C35H30F3N5O3 and a molecular weight of 625.65 g/mol. Its IUPAC name is N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• PubChem CID: 67293697
• Molecular Formula: C35H30F3N5O3
• Molecular Weight: 625.65 g/mol
• Exact Mass: 625.23
• IUPAC Name: N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• SMILES: Cc1ccccc1NC(=O)c1ccc(-c2ccc(NC(=O)c3oc(N4CCC(c5ccccc5)CC4)nc3C(F)(F)F)cn2)cc1
• InChI: InChI=1S/C35H30F3N5O3/c1-22-7-5-6-10-28(22)41-32(44)26-13-11-25(12-14-26)29-16-15-27(21-39-29)40-33(45)30-31(35(36,37)38)42-34(46-30)43-19-17-24(18-20-43)23-8-3-2-4-9-23/h2-16,21,24H,17-20H2,1H3,(H,40,45)(H,41,44)
• InChIKey: MRVSVQRHLKRRAT-UHFFFAOYSA-N
• XLogP: 7.95
• TPSA: 100.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.65
LogP ≤ 5	7.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 67293697) is N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

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

The canonical SMILES for N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is Cc1ccccc1NC(=O)c1ccc(-c2ccc(NC(=O)c3oc(N4CCC(c5ccccc5)CC4)nc3C(F)(F)F)cn2)cc1.

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

The InChIKey is MRVSVQRHLKRRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30F3N5O3/c1-22-7-5-6-10-28(22)41-32(44)26-13-11-25(12-14-26)29-16-15-27(21-39-29)40-33(45)30-31(35(36,37)38)42-34(46-30)43-19-17-24(18-20-43)23-8-3-2-4-9-23/h2-16,21,24H,17-20H2,1H3,(H,40,45)(H,41,44).

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

N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 625.65 g/mol, XLogP of 7.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 67293697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).