(5S)-5-(aminomethyl)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-(aminomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one;(5S)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxopentyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methyl 3-[(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate

C137H179F14N19O19Si7 — CID 161493660

IUPAC(5S)-5-(aminomethyl)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-(aminomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one;(5S)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxopentyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methyl 3-[(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate
SMILESCC(=O)CC[C@H]1CN(c2cc(F)c(N3CC[Si](C)(C)CC3)c(F)c2)C(=O)O1.CC(=O)CC[C@H]1CN(c2cc(F)c(N3CC[Si](C)(c4ccccc4)CC3)c(F)c2)C(=O)O1.CCC(=O)CC[C@H]1CN(c2cc(F)c(N3CC[Si](C)(C)CC3)c(F)c2)C(=O)O1.COC(=O)CC[C@H]1CN(c2cc(F)c(N3CC[Si](C)(C)CC3)c(F)c2)C(=O)O1.C[Si]1(C)CCN(c2c(F)cc(N3C[C@H](CN)OC3=O)cc2F)CC1.C[Si]1(C)CCN(c2c(F)cc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1.C[Si]1(c2ccccc2)CCN(c2c(F)cc(N3C[C@H](CN)OC3=O)cc2F)CC1
InChIInChI=1S/C24H28F2N2O3Si.C21H25F2N3O2Si.C20H28F2N2O3Si.C19H26F2N2O4Si.C19H26F2N2O3Si.C18H23F2N5O2Si.C16H23F2N3O2Si/c1-17(29)8-9-19-16-28(24(30)31-19)18-14-21(25)23(22(26)15-18)27-10-12-32(2,13-11-27)20-6-4-3-5-7-20;1-29(17-5-3-2-4-6-17)9-7-25(8-10-29)20-18(22)11-15(12-19(20)23)26-14-16(13-24)28-21(26)27;1-4-15(25)5-6-16-13-24(20(26)27-16)14-11-17(21)19(18(22)12-14)23-7-9-28(2,3)10-8-23;1-26-17(24)5-4-14-12-23(19(25)27-14)13-10-15(20)18(16(21)11-13)22-6-8-28(2,3)9-7-22;1-13(24)4-5-15-12-23(19(25)26-15)14-10-16(20)18(17(21)11-14)22-6-8-27(2,3)9-7-22;1-28(2)7-5-23(6-8-28)17-15(19)9-13(10-16(17)20)25-12-14(27-18(25)26)11-24-4-3-21-22-24;1-24(2)5-3-20(4-6-24)15-13(17)7-11(8-14(15)18)21-10-12(9-19)23-16(21)22/h3-7,14-15,19H,8-13,16H2,1-2H3;2-6,11-12,16H,7-10,13-14,24H2,1H3;11-12,16H,4-10,13H2,1-3H3;10-11,14H,4-9,12H2,1-3H3;10-11,15H,4-9,12H2,1-3H3;3-4,9-10,14H,5-8,11-12H2,1-2H3;7-8,12H,3-6,9-10,19H2,1-2H3/t19-;2*16-;14-;15-;14-;12-/m0000000/s1
InChIKeyWFXPYPOMRXFSTG-BZUIVSFOSA-N
MW2858.63 g/mol
LogP25.94
Rot. Bonds33

About (5S)-5-(aminomethyl)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-(aminomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one;(5S)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxopentyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methyl 3-[(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate

(5S)-5-(aminomethyl)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-(aminomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one;(5S)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxopentyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methyl 3-[(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate (PubChem CID 161493660) has the molecular formula C137H179F14N19O19Si7 and a molecular weight of 2858.63 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-(aminomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one;(5S)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxopentyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methyl 3-[(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-(aminomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one;(5S)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxopentyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methyl 3-[(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate
PubChem CID161493660
Molecular FormulaC137H179F14N19O19Si7
Molecular Weight2858.63 g/mol
Exact Mass2856.18
IUPAC Name(5S)-5-(aminomethyl)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-(aminomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one;(5S)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxopentyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methyl 3-[(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate
SMILESCC(=O)CC[C@H]1CN(c2cc(F)c(N3CC[Si](C)(C)CC3)c(F)c2)C(=O)O1.CC(=O)CC[C@H]1CN(c2cc(F)c(N3CC[Si](C)(c4ccccc4)CC3)c(F)c2)C(=O)O1.CCC(=O)CC[C@H]1CN(c2cc(F)c(N3CC[Si](C)(C)CC3)c(F)c2)C(=O)O1.COC(=O)CC[C@H]1CN(c2cc(F)c(N3CC[Si](C)(C)CC3)c(F)c2)C(=O)O1.C[Si]1(C)CCN(c2c(F)cc(N3C[C@H](CN)OC3=O)cc2F)CC1.C[Si]1(C)CCN(c2c(F)cc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1.C[Si]1(c2ccccc2)CCN(c2c(F)cc(N3C[C@H](CN)OC3=O)cc2F)CC1
InChIInChI=1S/C24H28F2N2O3Si.C21H25F2N3O2Si.C20H28F2N2O3Si.C19H26F2N2O4Si.C19H26F2N2O3Si.C18H23F2N5O2Si.C16H23F2N3O2Si/c1-17(29)8-9-19-16-28(24(30)31-19)18-14-21(25)23(22(26)15-18)27-10-12-32(2,13-11-27)20-6-4-3-5-7-20;1-29(17-5-3-2-4-6-17)9-7-25(8-10-29)20-18(22)11-15(12-19(20)23)26-14-16(13-24)28-21(26)27;1-4-15(25)5-6-16-13-24(20(26)27-16)14-11-17(21)19(18(22)12-14)23-7-9-28(2,3)10-8-23;1-26-17(24)5-4-14-12-23(19(25)27-14)13-10-15(20)18(16(21)11-13)22-6-8-28(2,3)9-7-22;1-13(24)4-5-15-12-23(19(25)26-15)14-10-16(20)18(17(21)11-14)22-6-8-27(2,3)9-7-22;1-28(2)7-5-23(6-8-28)17-15(19)9-13(10-16(17)20)25-12-14(27-18(25)26)11-24-4-3-21-22-24;1-24(2)5-3-20(4-6-24)15-13(17)7-11(8-14(15)18)21-10-12(9-19)23-16(21)22/h3-7,14-15,19H,8-13,16H2,1-2H3;2-6,11-12,16H,7-10,13-14,24H2,1H3;11-12,16H,4-10,13H2,1-3H3;10-11,14H,4-9,12H2,1-3H3;10-11,15H,4-9,12H2,1-3H3;3-4,9-10,14H,5-8,11-12H2,1-2H3;7-8,12H,3-6,9-10,19H2,1-2H3/t19-;2*16-;14-;15-;14-;12-/m0000000/s1
InChIKeyWFXPYPOMRXFSTG-BZUIVSFOSA-N
XLogP25.94
TPSA389.72 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds33
Heavy Atoms196
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002858.63
LogP ≤ 525.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (5S)-5-(aminomethyl)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-(aminomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one;(5S)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxopentyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methyl 3-[(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-(aminomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one;(5S)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxopentyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methyl 3-[(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate?
The IUPAC name of (5S)-5-(aminomethyl)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-(aminomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one;(5S)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxopentyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methyl 3-[(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate (CID 161493660) is (5S)-5-(aminomethyl)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-(aminomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one;(5S)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxopentyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methyl 3-[(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-(aminomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one;(5S)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxopentyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methyl 3-[(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate?
The canonical SMILES for (5S)-5-(aminomethyl)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-(aminomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one;(5S)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxopentyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methyl 3-[(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate is CC(=O)CC[C@H]1CN(c2cc(F)c(N3CC[Si](C)(C)CC3)c(F)c2)C(=O)O1.CC(=O)CC[C@H]1CN(c2cc(F)c(N3CC[Si](C)(c4ccccc4)CC3)c(F)c2)C(=O)O1.CCC(=O)CC[C@H]1CN(c2cc(F)c(N3CC[Si](C)(C)CC3)c(F)c2)C(=O)O1.COC(=O)CC[C@H]1CN(c2cc(F)c(N3CC[Si](C)(C)CC3)c(F)c2)C(=O)O1.C[Si]1(C)CCN(c2c(F)cc(N3C[C@H](CN)OC3=O)cc2F)CC1.C[Si]1(C)CCN(c2c(F)cc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1.C[Si]1(c2ccccc2)CCN(c2c(F)cc(N3C[C@H](CN)OC3=O)cc2F)CC1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-(aminomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one;(5S)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxopentyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methyl 3-[(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate?
The InChIKey is WFXPYPOMRXFSTG-BZUIVSFOSA-N. The full InChI is InChI=1S/C24H28F2N2O3Si.C21H25F2N3O2Si.C20H28F2N2O3Si.C19H26F2N2O4Si.C19H26F2N2O3Si.C18H23F2N5O2Si.C16H23F2N3O2Si/c1-17(29)8-9-19-16-28(24(30)31-19)18-14-21(25)23(22(26)15-18)27-10-12-32(2,13-11-27)20-6-4-3-5-7-20;1-29(17-5-3-2-4-6-17)9-7-25(8-10-29)20-18(22)11-15(12-19(20)23)26-14-16(13-24)28-21(26)27;1-4-15(25)5-6-16-13-24(20(26)27-16)14-11-17(21)19(18(22)12-14)23-7-9-28(2,3)10-8-23;1-26-17(24)5-4-14-12-23(19(25)27-14)13-10-15(20)18(16(21)11-13)22-6-8-28(2,3)9-7-22;1-13(24)4-5-15-12-23(19(25)26-15)14-10-16(20)18(17(21)11-14)22-6-8-27(2,3)9-7-22;1-28(2)7-5-23(6-8-28)17-15(19)9-13(10-16(17)20)25-12-14(27-18(25)26)11-24-4-3-21-22-24;1-24(2)5-3-20(4-6-24)15-13(17)7-11(8-14(15)18)21-10-12(9-19)23-16(21)22/h3-7,14-15,19H,8-13,16H2,1-2H3;2-6,11-12,16H,7-10,13-14,24H2,1H3;11-12,16H,4-10,13H2,1-3H3;10-11,14H,4-9,12H2,1-3H3;10-11,15H,4-9,12H2,1-3H3;3-4,9-10,14H,5-8,11-12H2,1-2H3;7-8,12H,3-6,9-10,19H2,1-2H3/t19-;2*16-;14-;15-;14-;12-/m0000000/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-(aminomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one;(5S)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxopentyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methyl 3-[(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate?
(5S)-5-(aminomethyl)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-(aminomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one;(5S)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxopentyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methyl 3-[(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate has a molecular weight of 2858.63 g/mol, XLogP of 25.94, 33 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-(aminomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one;(5S)-3-[3,5-difluoro-4-(4-methyl-4-phenyl-1,4-azasilinan-1-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(3-oxopentyl)-1,3-oxazolidin-2-one;(5R)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methyl 3-[(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate is sourced from PubChem (CID 161493660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).