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

C27H28Cl2F3N7O3 — CID 46212646

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

N-[6-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46212646) has the molecular formula C27H28Cl2F3N7O3 and a molecular weight of 626.47 g/mol. Its IUPAC name is N-[6-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• PubChem CID: 46212646
• Molecular Formula: C27H28Cl2F3N7O3
• Molecular Weight: 626.47 g/mol
• Exact Mass: 625.16
• IUPAC Name: N-[6-[4-[(2,6-dichlorophenyl)carbamoyl]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)Nc5c(Cl)cccc5Cl)CC4)nc3)o2)C1
• InChI: InChI=1S/C27H28Cl2F3N7O3/c1-16-4-3-9-39(15-16)26-36-23(27(30,31)32)22(42-26)24(40)34-17-7-8-20(33-14-17)37-10-12-38(13-11-37)25(41)35-21-18(28)5-2-6-19(21)29/h2,5-8,14,16H,3-4,9-13,15H2,1H3,(H,34,40)(H,35,41)
• InChIKey: GRAUZMXGKJKCIR-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 106.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.47
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[6-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46212646) is N-[6-[4-[(2,6-dichlorophenyl)carbamoyl]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-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-[6-[4-[(2,6-dichlorophenyl)carbamoyl]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)Nc5c(Cl)cccc5Cl)CC4)nc3)o2)C1.

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

The InChIKey is GRAUZMXGKJKCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2F3N7O3/c1-16-4-3-9-39(15-16)26-36-23(27(30,31)32)22(42-26)24(40)34-17-7-8-20(33-14-17)37-10-12-38(13-11-37)25(41)35-21-18(28)5-2-6-19(21)29/h2,5-8,14,16H,3-4,9-13,15H2,1H3,(H,34,40)(H,35,41).

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

N-[6-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 626.47 g/mol, XLogP of 6.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46212646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).