2-chloro-5-[3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]-N-(1-pyridin-2-ylcyclopropyl)benzamide

C25H16ClF8N5O2 — CID 126498354

About 2-chloro-5-[3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]-N-(1-pyridin-2-ylcyclopropyl)benzamide

2-chloro-5-[3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]-N-(1-pyridin-2-ylcyclopropyl)benzamide (PubChem CID 126498354) has the molecular formula C25H16ClF8N5O2 and a molecular weight of 605.87 g/mol. Its IUPAC name is 2-chloro-5-[3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]-N-(1-pyridin-2-ylcyclopropyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]-N-(1-pyridin-2-ylcyclopropyl)benzamide
• PubChem CID: 126498354
• Molecular Formula: C25H16ClF8N5O2
• Molecular Weight: 605.87 g/mol
• Exact Mass: 605.09
• IUPAC Name: 2-chloro-5-[3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]-N-(1-pyridin-2-ylcyclopropyl)benzamide
• SMILES: Cn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1-c1cc(-c2ccc(Cl)c(C(=O)NC3(c4ccccn4)CC3)c2)on1
• InChI: InChI=1S/C25H16ClF8N5O2/c1-39-19(18(24(29,30)31)20(37-39)23(27,28)25(32,33)34)15-11-16(41-38-15)12-5-6-14(26)13(10-12)21(40)36-22(7-8-22)17-4-2-3-9-35-17/h2-6,9-11H,7-8H2,1H3,(H,36,40)
• InChIKey: OSWHJBCYLATCGU-UHFFFAOYSA-N
• XLogP: 6.88
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.87
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]-N-(1-pyridin-2-ylcyclopropyl)benzamide?

The IUPAC name of 2-chloro-5-[3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]-N-(1-pyridin-2-ylcyclopropyl)benzamide (CID 126498354) is 2-chloro-5-[3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]-N-(1-pyridin-2-ylcyclopropyl)benzamide.

What is the SMILES notation for 2-chloro-5-[3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]-N-(1-pyridin-2-ylcyclopropyl)benzamide?

The canonical SMILES for 2-chloro-5-[3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]-N-(1-pyridin-2-ylcyclopropyl)benzamide is Cn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1-c1cc(-c2ccc(Cl)c(C(=O)NC3(c4ccccn4)CC3)c2)on1.

What is the InChIKey of 2-chloro-5-[3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]-N-(1-pyridin-2-ylcyclopropyl)benzamide?

The InChIKey is OSWHJBCYLATCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClF8N5O2/c1-39-19(18(24(29,30)31)20(37-39)23(27,28)25(32,33)34)15-11-16(41-38-15)12-5-6-14(26)13(10-12)21(40)36-22(7-8-22)17-4-2-3-9-35-17/h2-6,9-11H,7-8H2,1H3,(H,36,40).

What are the key properties of 2-chloro-5-[3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]-N-(1-pyridin-2-ylcyclopropyl)benzamide?

2-chloro-5-[3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]-N-(1-pyridin-2-ylcyclopropyl)benzamide has a molecular weight of 605.87 g/mol, XLogP of 6.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]-N-(1-pyridin-2-ylcyclopropyl)benzamide is sourced from PubChem (CID 126498354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).