6-[(5R)-5-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridazine-3-carboxamide

C21H14ClF10N5O3 — CID 175797502

About 6-[(5R)-5-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridazine-3-carboxamide

6-[(5R)-5-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridazine-3-carboxamide (PubChem CID 175797502) has the molecular formula C21H14ClF10N5O3 and a molecular weight of 609.81 g/mol. Its IUPAC name is 6-[(5R)-5-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(5R)-5-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridazine-3-carboxamide
• PubChem CID: 175797502
• Molecular Formula: C21H14ClF10N5O3
• Molecular Weight: 609.81 g/mol
• Exact Mass: 609.06
• IUPAC Name: 6-[(5R)-5-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridazine-3-carboxamide
• SMILES: Cc1cc(C2=NO[C@](c3cc(C(F)(F)F)cc(Cl)c3F)(C(F)(F)F)C2)nnc1C(=O)NCC(=O)NCC(F)(F)F
• InChI: InChI=1S/C21H14ClF10N5O3/c1-8-2-12(35-36-16(8)17(39)33-6-14(38)34-7-19(24,25)26)13-5-18(40-37-13,21(30,31)32)10-3-9(20(27,28)29)4-11(22)15(10)23/h2-4H,5-7H2,1H3,(H,33,39)(H,34,38)/t18-/m1/s1
• InChIKey: CQAGEWDYQNUXRG-GOSISDBHSA-N
• XLogP: 4.59
• TPSA: 105.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	609.81
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(5R)-5-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridazine-3-carboxamide?

The IUPAC name of 6-[(5R)-5-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridazine-3-carboxamide (CID 175797502) is 6-[(5R)-5-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridazine-3-carboxamide.

What is the SMILES notation for 6-[(5R)-5-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridazine-3-carboxamide?

The canonical SMILES for 6-[(5R)-5-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridazine-3-carboxamide is Cc1cc(C2=NO[C@](c3cc(C(F)(F)F)cc(Cl)c3F)(C(F)(F)F)C2)nnc1C(=O)NCC(=O)NCC(F)(F)F.

What is the InChIKey of 6-[(5R)-5-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridazine-3-carboxamide?

The InChIKey is CQAGEWDYQNUXRG-GOSISDBHSA-N. The full InChI is InChI=1S/C21H14ClF10N5O3/c1-8-2-12(35-36-16(8)17(39)33-6-14(38)34-7-19(24,25)26)13-5-18(40-37-13,21(30,31)32)10-3-9(20(27,28)29)4-11(22)15(10)23/h2-4H,5-7H2,1H3,(H,33,39)(H,34,38)/t18-/m1/s1.

What are the key properties of 6-[(5R)-5-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridazine-3-carboxamide?

6-[(5R)-5-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridazine-3-carboxamide has a molecular weight of 609.81 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5R)-5-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 175797502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).