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

C30H28F3N5O3 — CID 46196329

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

N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46196329) has the molecular formula C30H28F3N5O3 and a molecular weight of 563.58 g/mol. Its IUPAC name is N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• PubChem CID: 46196329
• Molecular Formula: C30H28F3N5O3
• Molecular Weight: 563.58 g/mol
• Exact Mass: 563.21
• IUPAC Name: N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• SMILES: Cc1ccccc1NC(=O)c1ccc(-c2ccc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)nc2)cc1
• InChI: InChI=1S/C30H28F3N5O3/c1-18-6-5-15-38(17-18)29-37-26(30(31,32)33)25(41-29)28(40)36-24-14-13-22(16-34-24)20-9-11-21(12-10-20)27(39)35-23-8-4-3-7-19(23)2/h3-4,7-14,16,18H,5-6,15,17H2,1-2H3,(H,35,39)(H,34,36,40)
• InChIKey: VQMDMFZGSCIFQU-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 100.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.58
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46196329) is N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

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

The canonical SMILES for N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is Cc1ccccc1NC(=O)c1ccc(-c2ccc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)nc2)cc1.

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

The InChIKey is VQMDMFZGSCIFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N5O3/c1-18-6-5-15-38(17-18)29-37-26(30(31,32)33)25(41-29)28(40)36-24-14-13-22(16-34-24)20-9-11-21(12-10-20)27(39)35-23-8-4-3-7-19(23)2/h3-4,7-14,16,18H,5-6,15,17H2,1-2H3,(H,35,39)(H,34,36,40).

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

N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 563.58 g/mol, XLogP of 6.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46196329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).