tert-butyl (3S)-3-[2-(difluoromethyl)-4-pyridinyl]-1,2-oxazolidine-2-carboxylate;1-[(3S)-3-(5-chloro-3-fluoro-2-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;(2S)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;[(1R)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone;2,2-dimethyl-1-[(3S)-3-(1-methylpyrazol-4-yl)-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-pyrazolo[1,5-a]pyridin-2-yl-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one;1-[(3S)-3-imidazo[1,2-a]pyridin-7-yl-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one

C164H198ClF20N25O25S — CID 157290318

IUPACtert-butyl (3S)-3-[2-(difluoromethyl)-4-pyridinyl]-1,2-oxazolidine-2-carboxylate;1-[(3S)-3-(5-chloro-3-fluoro-2-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;(2S)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;[(1R)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone;2,2-dimethyl-1-[(3S)-3-(1-methylpyrazol-4-yl)-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-pyrazolo[1,5-a]pyridin-2-yl-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one;1-[(3S)-3-imidazo[1,2-a]pyridin-7-yl-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1OCC[C@H]1c1cc2ccccn2n1.CC(C)(C)C(=O)N1OCC[C@H]1c1ccc(C(F)(F)F)nc1.CC(C)(C)C(=O)N1OCC[C@H]1c1ccn2ccnc2c1.CC(C)(C)C(=O)N1OCC[C@H]1c1nc(C(F)(F)F)cs1.CC(C)(C)C(=O)N1OCC[C@H]1c1ncc(Cl)cc1F.CC(C)(C)OC(=O)N1OCC[C@H]1c1ccnc(C(F)F)c1.C[C@@H](C(=O)N1OCC[C@H]1c1ccc(F)nc1)C1CC1.C[C@@]1(C(=O)N2OCC[C@H]2c2ccc(F)cc2)CC1(F)F.C[C@@]1(C(=O)N2OCC[C@H]2c2ccc(F)nc2)CC1(F)F.C[C@H](C(=O)N1OCC[C@H]1c1ccc(F)nc1)C1CC1.C[C@]1(C(=O)N2OCC[C@H]2c2ccc(F)cc2)CC1(F)F.Cn1cc([C@@H]2CCON2C(=O)C(C)(C)C)cn1
InChIInChI=1S/2C15H19N3O2.C14H17F3N2O2.2C14H14F3NO2.C14H18F2N2O3.2C14H17FN2O2.C13H16ClFN2O2.C13H13F3N2O2.C12H15F3N2O2S.C12H19N3O2/c1-15(2,3)14(19)18-12(5-9-20-18)11-4-7-17-8-6-16-13(17)10-11;1-15(2,3)14(19)18-13(7-9-20-18)12-10-11-6-4-5-8-17(11)16-12;1-13(2,3)12(20)19-10(6-7-21-19)9-4-5-11(18-8-9)14(15,16)17;2*1-13(8-14(13,16)17)12(19)18-11(6-7-20-18)9-2-4-10(15)5-3-9;1-14(2,3)21-13(19)18-11(5-7-20-18)9-4-6-17-10(8-9)12(15)16;2*1-9(10-2-3-10)14(18)17-12(6-7-19-17)11-4-5-13(15)16-8-11;1-13(2,3)12(18)17-10(4-5-19-17)11-9(15)6-8(14)7-16-11;1-12(7-13(12,15)16)11(19)18-9(4-5-20-18)8-2-3-10(14)17-6-8;1-11(2,3)10(18)17-7(4-5-19-17)9-16-8(6-20-9)12(13,14)15;1-12(2,3)11(16)15-10(5-6-17-15)9-7-13-14(4)8-9/h4,6-8,10,12H,5,9H2,1-3H3;4-6,8,10,13H,7,9H2,1-3H3;4-5,8,10H,6-7H2,1-3H3;2*2-5,11H,6-8H2,1H3;4,6,8,11-12H,5,7H2,1-3H3;2*4-5,8-10,12H,2-3,6-7H2,1H3;6-7,10H,4-5H2,1-3H3;2-3,6,9H,4-5,7H2,1H3;6-7H,4-5H2,1-3H3;7-8,10H,5-6H2,1-4H3/t12-;13-;10-;11-,13+;11-,13-;11-;9-,12+;9-,12-;10-;9-,12-;7-;10-/m000000100000/s1
InChIKeyBASKFHRMZXIVCT-KNIZJNELSA-N
MW3367.02 g/mol
LogP33.93
Rot. Bonds20

About tert-butyl (3S)-3-[2-(difluoromethyl)-4-pyridinyl]-1,2-oxazolidine-2-carboxylate;1-[(3S)-3-(5-chloro-3-fluoro-2-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;(2S)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;[(1R)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone;2,2-dimethyl-1-[(3S)-3-(1-methylpyrazol-4-yl)-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-pyrazolo[1,5-a]pyridin-2-yl-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one;1-[(3S)-3-imidazo[1,2-a]pyridin-7-yl-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one

tert-butyl (3S)-3-[2-(difluoromethyl)-4-pyridinyl]-1,2-oxazolidine-2-carboxylate;1-[(3S)-3-(5-chloro-3-fluoro-2-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;(2S)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;[(1R)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone;2,2-dimethyl-1-[(3S)-3-(1-methylpyrazol-4-yl)-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-pyrazolo[1,5-a]pyridin-2-yl-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one;1-[(3S)-3-imidazo[1,2-a]pyridin-7-yl-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 157290318) has the molecular formula C164H198ClF20N25O25S and a molecular weight of 3367.02 g/mol. Its IUPAC name is tert-butyl (3S)-3-[2-(difluoromethyl)-4-pyridinyl]-1,2-oxazolidine-2-carboxylate;1-[(3S)-3-(5-chloro-3-fluoro-2-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;(2S)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;[(1R)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone;2,2-dimethyl-1-[(3S)-3-(1-methylpyrazol-4-yl)-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-pyrazolo[1,5-a]pyridin-2-yl-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one;1-[(3S)-3-imidazo[1,2-a]pyridin-7-yl-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Nametert-butyl (3S)-3-[2-(difluoromethyl)-4-pyridinyl]-1,2-oxazolidine-2-carboxylate;1-[(3S)-3-(5-chloro-3-fluoro-2-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;(2S)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;[(1R)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone;2,2-dimethyl-1-[(3S)-3-(1-methylpyrazol-4-yl)-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-pyrazolo[1,5-a]pyridin-2-yl-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one;1-[(3S)-3-imidazo[1,2-a]pyridin-7-yl-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID157290318
Molecular FormulaC164H198ClF20N25O25S
Molecular Weight3367.02 g/mol
Exact Mass3364.41
IUPAC Nametert-butyl (3S)-3-[2-(difluoromethyl)-4-pyridinyl]-1,2-oxazolidine-2-carboxylate;1-[(3S)-3-(5-chloro-3-fluoro-2-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;(2S)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;[(1R)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone;2,2-dimethyl-1-[(3S)-3-(1-methylpyrazol-4-yl)-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-pyrazolo[1,5-a]pyridin-2-yl-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one;1-[(3S)-3-imidazo[1,2-a]pyridin-7-yl-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1OCC[C@H]1c1cc2ccccn2n1.CC(C)(C)C(=O)N1OCC[C@H]1c1ccc(C(F)(F)F)nc1.CC(C)(C)C(=O)N1OCC[C@H]1c1ccn2ccnc2c1.CC(C)(C)C(=O)N1OCC[C@H]1c1nc(C(F)(F)F)cs1.CC(C)(C)C(=O)N1OCC[C@H]1c1ncc(Cl)cc1F.CC(C)(C)OC(=O)N1OCC[C@H]1c1ccnc(C(F)F)c1.C[C@@H](C(=O)N1OCC[C@H]1c1ccc(F)nc1)C1CC1.C[C@@]1(C(=O)N2OCC[C@H]2c2ccc(F)cc2)CC1(F)F.C[C@@]1(C(=O)N2OCC[C@H]2c2ccc(F)nc2)CC1(F)F.C[C@H](C(=O)N1OCC[C@H]1c1ccc(F)nc1)C1CC1.C[C@]1(C(=O)N2OCC[C@H]2c2ccc(F)cc2)CC1(F)F.Cn1cc([C@@H]2CCON2C(=O)C(C)(C)C)cn1
InChIInChI=1S/2C15H19N3O2.C14H17F3N2O2.2C14H14F3NO2.C14H18F2N2O3.2C14H17FN2O2.C13H16ClFN2O2.C13H13F3N2O2.C12H15F3N2O2S.C12H19N3O2/c1-15(2,3)14(19)18-12(5-9-20-18)11-4-7-17-8-6-16-13(17)10-11;1-15(2,3)14(19)18-13(7-9-20-18)12-10-11-6-4-5-8-17(11)16-12;1-13(2,3)12(20)19-10(6-7-21-19)9-4-5-11(18-8-9)14(15,16)17;2*1-13(8-14(13,16)17)12(19)18-11(6-7-20-18)9-2-4-10(15)5-3-9;1-14(2,3)21-13(19)18-11(5-7-20-18)9-4-6-17-10(8-9)12(15)16;2*1-9(10-2-3-10)14(18)17-12(6-7-19-17)11-4-5-13(15)16-8-11;1-13(2,3)12(18)17-10(4-5-19-17)11-9(15)6-8(14)7-16-11;1-12(7-13(12,15)16)11(19)18-9(4-5-20-18)8-2-3-10(14)17-6-8;1-11(2,3)10(18)17-7(4-5-19-17)9-16-8(6-20-9)12(13,14)15;1-12(2,3)11(16)15-10(5-6-17-15)9-7-13-14(4)8-9/h4,6-8,10,12H,5,9H2,1-3H3;4-6,8,10,13H,7,9H2,1-3H3;4-5,8,10H,6-7H2,1-3H3;2*2-5,11H,6-8H2,1H3;4,6,8,11-12H,5,7H2,1-3H3;2*4-5,8-10,12H,2-3,6-7H2,1H3;6-7,10H,4-5H2,1-3H3;2-3,6,9H,4-5,7H2,1H3;6-7H,4-5H2,1-3H3;7-8,10H,5-6H2,1-4H3/t12-;13-;10-;11-,13+;11-,13-;11-;9-,12+;9-,12-;10-;9-,12-;7-;10-/m000000100000/s1
InChIKeyBASKFHRMZXIVCT-KNIZJNELSA-N
XLogP33.93
TPSA506.36 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds20
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003367.02
LogP ≤ 533.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze tert-butyl (3S)-3-[2-(difluoromethyl)-4-pyridinyl]-1,2-oxazolidine-2-carboxylate;1-[(3S)-3-(5-chloro-3-fluoro-2-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;(2S)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;[(1R)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone;2,2-dimethyl-1-[(3S)-3-(1-methylpyrazol-4-yl)-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-pyrazolo[1,5-a]pyridin-2-yl-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one;1-[(3S)-3-imidazo[1,2-a]pyridin-7-yl-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[2-(difluoromethyl)-4-pyridinyl]-1,2-oxazolidine-2-carboxylate;1-[(3S)-3-(5-chloro-3-fluoro-2-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;(2S)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;[(1R)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone;2,2-dimethyl-1-[(3S)-3-(1-methylpyrazol-4-yl)-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-pyrazolo[1,5-a]pyridin-2-yl-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one;1-[(3S)-3-imidazo[1,2-a]pyridin-7-yl-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of tert-butyl (3S)-3-[2-(difluoromethyl)-4-pyridinyl]-1,2-oxazolidine-2-carboxylate;1-[(3S)-3-(5-chloro-3-fluoro-2-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;(2S)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;[(1R)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone;2,2-dimethyl-1-[(3S)-3-(1-methylpyrazol-4-yl)-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-pyrazolo[1,5-a]pyridin-2-yl-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one;1-[(3S)-3-imidazo[1,2-a]pyridin-7-yl-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one (CID 157290318) is tert-butyl (3S)-3-[2-(difluoromethyl)-4-pyridinyl]-1,2-oxazolidine-2-carboxylate;1-[(3S)-3-(5-chloro-3-fluoro-2-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;(2S)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;[(1R)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone;2,2-dimethyl-1-[(3S)-3-(1-methylpyrazol-4-yl)-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-pyrazolo[1,5-a]pyridin-2-yl-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one;1-[(3S)-3-imidazo[1,2-a]pyridin-7-yl-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for tert-butyl (3S)-3-[2-(difluoromethyl)-4-pyridinyl]-1,2-oxazolidine-2-carboxylate;1-[(3S)-3-(5-chloro-3-fluoro-2-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;(2S)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;[(1R)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone;2,2-dimethyl-1-[(3S)-3-(1-methylpyrazol-4-yl)-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-pyrazolo[1,5-a]pyridin-2-yl-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one;1-[(3S)-3-imidazo[1,2-a]pyridin-7-yl-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for tert-butyl (3S)-3-[2-(difluoromethyl)-4-pyridinyl]-1,2-oxazolidine-2-carboxylate;1-[(3S)-3-(5-chloro-3-fluoro-2-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;(2S)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;[(1R)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone;2,2-dimethyl-1-[(3S)-3-(1-methylpyrazol-4-yl)-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-pyrazolo[1,5-a]pyridin-2-yl-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one;1-[(3S)-3-imidazo[1,2-a]pyridin-7-yl-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1OCC[C@H]1c1cc2ccccn2n1.CC(C)(C)C(=O)N1OCC[C@H]1c1ccc(C(F)(F)F)nc1.CC(C)(C)C(=O)N1OCC[C@H]1c1ccn2ccnc2c1.CC(C)(C)C(=O)N1OCC[C@H]1c1nc(C(F)(F)F)cs1.CC(C)(C)C(=O)N1OCC[C@H]1c1ncc(Cl)cc1F.CC(C)(C)OC(=O)N1OCC[C@H]1c1ccnc(C(F)F)c1.C[C@@H](C(=O)N1OCC[C@H]1c1ccc(F)nc1)C1CC1.C[C@@]1(C(=O)N2OCC[C@H]2c2ccc(F)cc2)CC1(F)F.C[C@@]1(C(=O)N2OCC[C@H]2c2ccc(F)nc2)CC1(F)F.C[C@H](C(=O)N1OCC[C@H]1c1ccc(F)nc1)C1CC1.C[C@]1(C(=O)N2OCC[C@H]2c2ccc(F)cc2)CC1(F)F.Cn1cc([C@@H]2CCON2C(=O)C(C)(C)C)cn1.
What is the InChIKey of tert-butyl (3S)-3-[2-(difluoromethyl)-4-pyridinyl]-1,2-oxazolidine-2-carboxylate;1-[(3S)-3-(5-chloro-3-fluoro-2-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;(2S)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;[(1R)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone;2,2-dimethyl-1-[(3S)-3-(1-methylpyrazol-4-yl)-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-pyrazolo[1,5-a]pyridin-2-yl-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one;1-[(3S)-3-imidazo[1,2-a]pyridin-7-yl-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is BASKFHRMZXIVCT-KNIZJNELSA-N. The full InChI is InChI=1S/2C15H19N3O2.C14H17F3N2O2.2C14H14F3NO2.C14H18F2N2O3.2C14H17FN2O2.C13H16ClFN2O2.C13H13F3N2O2.C12H15F3N2O2S.C12H19N3O2/c1-15(2,3)14(19)18-12(5-9-20-18)11-4-7-17-8-6-16-13(17)10-11;1-15(2,3)14(19)18-13(7-9-20-18)12-10-11-6-4-5-8-17(11)16-12;1-13(2,3)12(20)19-10(6-7-21-19)9-4-5-11(18-8-9)14(15,16)17;2*1-13(8-14(13,16)17)12(19)18-11(6-7-20-18)9-2-4-10(15)5-3-9;1-14(2,3)21-13(19)18-11(5-7-20-18)9-4-6-17-10(8-9)12(15)16;2*1-9(10-2-3-10)14(18)17-12(6-7-19-17)11-4-5-13(15)16-8-11;1-13(2,3)12(18)17-10(4-5-19-17)11-9(15)6-8(14)7-16-11;1-12(7-13(12,15)16)11(19)18-9(4-5-20-18)8-2-3-10(14)17-6-8;1-11(2,3)10(18)17-7(4-5-19-17)9-16-8(6-20-9)12(13,14)15;1-12(2,3)11(16)15-10(5-6-17-15)9-7-13-14(4)8-9/h4,6-8,10,12H,5,9H2,1-3H3;4-6,8,10,13H,7,9H2,1-3H3;4-5,8,10H,6-7H2,1-3H3;2*2-5,11H,6-8H2,1H3;4,6,8,11-12H,5,7H2,1-3H3;2*4-5,8-10,12H,2-3,6-7H2,1H3;6-7,10H,4-5H2,1-3H3;2-3,6,9H,4-5,7H2,1H3;6-7H,4-5H2,1-3H3;7-8,10H,5-6H2,1-4H3/t12-;13-;10-;11-,13+;11-,13-;11-;9-,12+;9-,12-;10-;9-,12-;7-;10-/m000000100000/s1.
What are the key properties of tert-butyl (3S)-3-[2-(difluoromethyl)-4-pyridinyl]-1,2-oxazolidine-2-carboxylate;1-[(3S)-3-(5-chloro-3-fluoro-2-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;(2S)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;[(1R)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone;2,2-dimethyl-1-[(3S)-3-(1-methylpyrazol-4-yl)-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-pyrazolo[1,5-a]pyridin-2-yl-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one;1-[(3S)-3-imidazo[1,2-a]pyridin-7-yl-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one?
tert-butyl (3S)-3-[2-(difluoromethyl)-4-pyridinyl]-1,2-oxazolidine-2-carboxylate;1-[(3S)-3-(5-chloro-3-fluoro-2-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;(2S)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;[(1R)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone;2,2-dimethyl-1-[(3S)-3-(1-methylpyrazol-4-yl)-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-pyrazolo[1,5-a]pyridin-2-yl-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one;1-[(3S)-3-imidazo[1,2-a]pyridin-7-yl-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 3367.02 g/mol, XLogP of 33.93, 20 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[2-(difluoromethyl)-4-pyridinyl]-1,2-oxazolidine-2-carboxylate;1-[(3S)-3-(5-chloro-3-fluoro-2-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;(2R)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;(2S)-2-cyclopropyl-1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one;[(1R)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]methanone;[(1S)-2,2-difluoro-1-methylcyclopropyl]-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone;2,2-dimethyl-1-[(3S)-3-(1-methylpyrazol-4-yl)-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-pyrazolo[1,5-a]pyridin-2-yl-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazolidin-2-yl]propan-1-one;2,2-dimethyl-1-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidin-2-yl]propan-1-one;1-[(3S)-3-imidazo[1,2-a]pyridin-7-yl-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 157290318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).