carbon dioxide;1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone;3-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide;methane

C46H37F10N9O7 — CID 159210138

About carbon dioxide;1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone;3-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide;methane

carbon dioxide;1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone;3-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide;methane (PubChem CID 159210138) has the molecular formula C46H37F10N9O7 and a molecular weight of 1017.84 g/mol. Its IUPAC name is carbon dioxide;1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone;3-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide;methane.

Molecular Properties

• Compound Name: carbon dioxide;1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone;3-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide;methane
• PubChem CID: 159210138
• Molecular Formula: C46H37F10N9O7
• Molecular Weight: 1017.84 g/mol
• Exact Mass: 1017.27
• IUPAC Name: carbon dioxide;1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone;3-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide;methane
• SMILES: C.CC1(C(N)=O)CC(c2cc(C(F)(F)F)n(-c3ccc(CC(=O)c4c(F)cccc4F)cn3)n2)=NO1.CC1(C)CC(c2cc(C(F)(F)F)n(-c3ccc(CC(=O)c4c(F)cccc4F)cn3)n2)=NO1.O=C=O
• InChI: InChI=1S/C22H16F5N5O3.C22H17F5N4O2.CO2.CH4/c1-21(20(28)34)9-15(31-35-21)14-8-17(22(25,26)27)32(30-14)18-6-5-11(10-29-18)7-16(33)19-12(23)3-2-4-13(19)24;1-21(2)10-16(30-33-21)15-9-18(22(25,26)27)31(29-15)19-7-6-12(11-28-19)8-17(32)20-13(23)4-3-5-14(20)24;2-1-3;/h2-6,8,10H,7,9H2,1H3,(H2,28,34);3-7,9,11H,8,10H2,1-2H3;;1H4
• InChIKey: KQJVWHKCVVPZBZ-UHFFFAOYSA-N
• XLogP: 8.30
• TPSA: 215.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1017.84
LogP ≤ 5	8.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone;3-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide;methane?

The IUPAC name of carbon dioxide;1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone;3-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide;methane (CID 159210138) is carbon dioxide;1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone;3-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide;methane.

What is the SMILES notation for carbon dioxide;1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone;3-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide;methane?

The canonical SMILES for carbon dioxide;1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone;3-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide;methane is C.CC1(C(N)=O)CC(c2cc(C(F)(F)F)n(-c3ccc(CC(=O)c4c(F)cccc4F)cn3)n2)=NO1.CC1(C)CC(c2cc(C(F)(F)F)n(-c3ccc(CC(=O)c4c(F)cccc4F)cn3)n2)=NO1.O=C=O.

What is the InChIKey of carbon dioxide;1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone;3-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide;methane?

The InChIKey is KQJVWHKCVVPZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F5N5O3.C22H17F5N4O2.CO2.CH4/c1-21(20(28)34)9-15(31-35-21)14-8-17(22(25,26)27)32(30-14)18-6-5-11(10-29-18)7-16(33)19-12(23)3-2-4-13(19)24;1-21(2)10-16(30-33-21)15-9-18(22(25,26)27)31(29-15)19-7-6-12(11-28-19)8-17(32)20-13(23)4-3-5-14(20)24;2-1-3;/h2-6,8,10H,7,9H2,1H3,(H2,28,34);3-7,9,11H,8,10H2,1-2H3;;1H4.

What are the key properties of carbon dioxide;1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone;3-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide;methane?

carbon dioxide;1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone;3-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide;methane has a molecular weight of 1017.84 g/mol, XLogP of 8.30, 11 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;1-(2,6-difluorophenyl)-2-[6-[3-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanone;3-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide;methane is sourced from PubChem (CID 159210138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).