(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-(3,5-dimethylphenyl)-3-(3-isoquinolin-4-ylpropanoyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-5-(3,5-dimethylphenyl)-4-methyl-3-[3-(2-nitrophenyl)propanoyl]-1,3-oxazolidin-2-one;(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxamide;methane

C110H100F18N14O17 — CID 157075834

About (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-(3,5-dimethylphenyl)-3-(3-isoquinolin-4-ylpropanoyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-5-(3,5-dimethylphenyl)-4-methyl-3-[3-(2-nitrophenyl)propanoyl]-1,3-oxazolidin-2-one;(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxamide;methane

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-(3,5-dimethylphenyl)-3-(3-isoquinolin-4-ylpropanoyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-5-(3,5-dimethylphenyl)-4-methyl-3-[3-(2-nitrophenyl)propanoyl]-1,3-oxazolidin-2-one;(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxamide;methane (PubChem CID 157075834) has the molecular formula C110H100F18N14O17 and a molecular weight of 2232.05 g/mol. Its IUPAC name is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-(3,5-dimethylphenyl)-3-(3-isoquinolin-4-ylpropanoyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-5-(3,5-dimethylphenyl)-4-methyl-3-[3-(2-nitrophenyl)propanoyl]-1,3-oxazolidin-2-one;(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxamide;methane.

Molecular Properties

• Compound Name: (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-(3,5-dimethylphenyl)-3-(3-isoquinolin-4-ylpropanoyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-5-(3,5-dimethylphenyl)-4-methyl-3-[3-(2-nitrophenyl)propanoyl]-1,3-oxazolidin-2-one;(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxamide;methane
• PubChem CID: 157075834
• Molecular Formula: C110H100F18N14O17
• Molecular Weight: 2232.05 g/mol
• Exact Mass: 2230.71
• IUPAC Name: (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-(3,5-dimethylphenyl)-3-(3-isoquinolin-4-ylpropanoyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-5-(3,5-dimethylphenyl)-4-methyl-3-[3-(2-nitrophenyl)propanoyl]-1,3-oxazolidin-2-one;(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxamide;methane
• SMILES: C.C[C@H]1[C@@H](c2cc(C(C)(F)F)cc(C(F)(F)F)c2)OC(=O)N1C(=O)NCc1cncc2cccnc12.C[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1C(=O)NCc1cccc2ccnn12.C[C@H]1[C@@H](c2cc(F)cc(C(F)(F)F)c2)OC(=O)N1C(=O)NCc1ccccc1C(F)(F)F.Cc1cc(C)cc([C@H]2OC(=O)N(C(=O)CCc3ccccc3[N+](=O)[O-])[C@H]2C)c1.Cc1cc(C)cc([C@H]2OC(=O)N(C(=O)CCc3cncc4ccccc34)[C@H]2C)c1
• InChI: InChI=1S/C24H24N2O3.C23H19F5N4O3.C21H16F6N4O3.C21H22N2O5.C20H15F7N2O3.CH4/c1-15-10-16(2)12-20(11-15)23-17(3)26(24(28)29-23)22(27)9-8-19-14-25-13-18-6-4-5-7-21(18)19;1-12-19(14-6-16(22(2,24)25)8-17(7-14)23(26,27)28)35-21(34)32(12)20(33)31-11-15-10-29-9-13-4-3-5-30-18(13)15;1-11-17(12-7-13(20(22,23)24)9-14(8-12)21(25,26)27)34-19(33)30(11)18(32)28-10-16-4-2-3-15-5-6-29-31(15)16;1-13-10-14(2)12-17(11-13)20-15(3)22(21(25)28-20)19(24)9-8-16-6-4-5-7-18(16)23(26)27;1-10-16(12-6-13(19(22,23)24)8-14(21)7-12)32-18(31)29(10)17(30)28-9-11-4-2-3-5-15(11)20(25,26)27;/h4-7,10-14,17,23H,8-9H2,1-3H3;3-10,12,19H,11H2,1-2H3,(H,31,33);2-9,11,17H,10H2,1H3,(H,28,32);4-7,10-12,15,20H,8-9H2,1-3H3;2-8,10,16H,9H2,1H3,(H,28,30);1H4/t17-,23-;12-,19-;11-,17-;15-,20-;10-,16-;/m00000./s1
• InChIKey: ACYRLPPQKUGHLW-CWTBGFMRSA-N
• XLogP: 26.15
• TPSA: 368.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2232.05
LogP ≤ 5	26.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-(3,5-dimethylphenyl)-3-(3-isoquinolin-4-ylpropanoyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-5-(3,5-dimethylphenyl)-4-methyl-3-[3-(2-nitrophenyl)propanoyl]-1,3-oxazolidin-2-one;(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxamide;methane?

The IUPAC name of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-(3,5-dimethylphenyl)-3-(3-isoquinolin-4-ylpropanoyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-5-(3,5-dimethylphenyl)-4-methyl-3-[3-(2-nitrophenyl)propanoyl]-1,3-oxazolidin-2-one;(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxamide;methane (CID 157075834) is (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-(3,5-dimethylphenyl)-3-(3-isoquinolin-4-ylpropanoyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-5-(3,5-dimethylphenyl)-4-methyl-3-[3-(2-nitrophenyl)propanoyl]-1,3-oxazolidin-2-one;(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxamide;methane.

What is the SMILES notation for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-(3,5-dimethylphenyl)-3-(3-isoquinolin-4-ylpropanoyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-5-(3,5-dimethylphenyl)-4-methyl-3-[3-(2-nitrophenyl)propanoyl]-1,3-oxazolidin-2-one;(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxamide;methane?

The canonical SMILES for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-(3,5-dimethylphenyl)-3-(3-isoquinolin-4-ylpropanoyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-5-(3,5-dimethylphenyl)-4-methyl-3-[3-(2-nitrophenyl)propanoyl]-1,3-oxazolidin-2-one;(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxamide;methane is C.C[C@H]1[C@@H](c2cc(C(C)(F)F)cc(C(F)(F)F)c2)OC(=O)N1C(=O)NCc1cncc2cccnc12.C[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1C(=O)NCc1cccc2ccnn12.C[C@H]1[C@@H](c2cc(F)cc(C(F)(F)F)c2)OC(=O)N1C(=O)NCc1ccccc1C(F)(F)F.Cc1cc(C)cc([C@H]2OC(=O)N(C(=O)CCc3ccccc3[N+](=O)[O-])[C@H]2C)c1.Cc1cc(C)cc([C@H]2OC(=O)N(C(=O)CCc3cncc4ccccc34)[C@H]2C)c1.

What is the InChIKey of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-(3,5-dimethylphenyl)-3-(3-isoquinolin-4-ylpropanoyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-5-(3,5-dimethylphenyl)-4-methyl-3-[3-(2-nitrophenyl)propanoyl]-1,3-oxazolidin-2-one;(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxamide;methane?

The InChIKey is ACYRLPPQKUGHLW-CWTBGFMRSA-N. The full InChI is InChI=1S/C24H24N2O3.C23H19F5N4O3.C21H16F6N4O3.C21H22N2O5.C20H15F7N2O3.CH4/c1-15-10-16(2)12-20(11-15)23-17(3)26(24(28)29-23)22(27)9-8-19-14-25-13-18-6-4-5-7-21(18)19;1-12-19(14-6-16(22(2,24)25)8-17(7-14)23(26,27)28)35-21(34)32(12)20(33)31-11-15-10-29-9-13-4-3-5-30-18(13)15;1-11-17(12-7-13(20(22,23)24)9-14(8-12)21(25,26)27)34-19(33)30(11)18(32)28-10-16-4-2-3-15-5-6-29-31(15)16;1-13-10-14(2)12-17(11-13)20-15(3)22(21(25)28-20)19(24)9-8-16-6-4-5-7-18(16)23(26)27;1-10-16(12-6-13(19(22,23)24)8-14(21)7-12)32-18(31)29(10)17(30)28-9-11-4-2-3-5-15(11)20(25,26)27;/h4-7,10-14,17,23H,8-9H2,1-3H3;3-10,12,19H,11H2,1-2H3,(H,31,33);2-9,11,17H,10H2,1H3,(H,28,32);4-7,10-12,15,20H,8-9H2,1-3H3;2-8,10,16H,9H2,1H3,(H,28,30);1H4/t17-,23-;12-,19-;11-,17-;15-,20-;10-,16-;/m00000./s1.

What are the key properties of (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-(3,5-dimethylphenyl)-3-(3-isoquinolin-4-ylpropanoyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-5-(3,5-dimethylphenyl)-4-methyl-3-[3-(2-nitrophenyl)propanoyl]-1,3-oxazolidin-2-one;(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxamide;methane?

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-(3,5-dimethylphenyl)-3-(3-isoquinolin-4-ylpropanoyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-5-(3,5-dimethylphenyl)-4-methyl-3-[3-(2-nitrophenyl)propanoyl]-1,3-oxazolidin-2-one;(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxamide;methane has a molecular weight of 2232.05 g/mol, XLogP of 26.15, 19 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide;(4S,5R)-5-(3,5-dimethylphenyl)-3-(3-isoquinolin-4-ylpropanoyl)-4-methyl-1,3-oxazolidin-2-one;(4S,5R)-5-(3,5-dimethylphenyl)-4-methyl-3-[3-(2-nitrophenyl)propanoyl]-1,3-oxazolidin-2-one;(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-3-carboxamide;methane is sourced from PubChem (CID 157075834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).