4-(4-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide

C26H17F4N5O4S2 — CID 176859218

About 4-(4-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide

4-(4-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide (PubChem CID 176859218) has the molecular formula C26H17F4N5O4S2 and a molecular weight of 603.58 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-(4-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide
• PubChem CID: 176859218
• Molecular Formula: C26H17F4N5O4S2
• Molecular Weight: 603.58 g/mol
• Exact Mass: 603.07
• IUPAC Name: 4-(4-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide
• SMILES: CN(c1nc(-c2ccc(F)cc2)c(C(=O)Nc2nc(-c3ccccn3)cs2)o1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C26H17F4N5O4S2/c1-35(41(37,38)18-11-7-16(8-12-18)26(28,29)30)25-33-21(15-5-9-17(27)10-6-15)22(39-25)23(36)34-24-32-20(14-40-24)19-4-2-3-13-31-19/h2-14H,1H3,(H,32,34,36)
• InChIKey: CEBFQAMCGDPUGP-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 118.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.58
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide?

The IUPAC name of 4-(4-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide (CID 176859218) is 4-(4-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide.

What is the SMILES notation for 4-(4-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide?

The canonical SMILES for 4-(4-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide is CN(c1nc(-c2ccc(F)cc2)c(C(=O)Nc2nc(-c3ccccn3)cs2)o1)S(=O)(=O)c1ccc(C(F)(F)F)cc1.

What is the InChIKey of 4-(4-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide?

The InChIKey is CEBFQAMCGDPUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F4N5O4S2/c1-35(41(37,38)18-11-7-16(8-12-18)26(28,29)30)25-33-21(15-5-9-17(27)10-6-15)22(39-25)23(36)34-24-32-20(14-40-24)19-4-2-3-13-31-19/h2-14H,1H3,(H,32,34,36).

What are the key properties of 4-(4-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide?

4-(4-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 603.58 g/mol, XLogP of 6.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-fluorophenyl)-2-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 176859218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).