(1R,2S)-2-amino-1-[4-(6-butyl-3-pyridinyl)phenyl]-3-fluoropropan-1-ol;5-bromopyridine-2-carbonitrile;tert-butyl (4S,5R)-5-[4-(6-butanoyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-butyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-cyano-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidine-3-carboxylate;(4S,5S)-5-[4-(6-butyl-3-pyridinyl)phenyl]-1,1-dichloro-4-(fluoromethyl)-5-hydroxypentan-2-one;ethyl 2,2-dichloroacetate;5-[4-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]phenyl]pyridine-2-carboxylic acid

C170H212BBrCl4F7N15O25 — CID 161357081

About (1R,2S)-2-amino-1-[4-(6-butyl-3-pyridinyl)phenyl]-3-fluoropropan-1-ol;5-bromopyridine-2-carbonitrile;tert-butyl (4S,5R)-5-[4-(6-butanoyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-butyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-cyano-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidine-3-carboxylate;(4S,5S)-5-[4-(6-butyl-3-pyridinyl)phenyl]-1,1-dichloro-4-(fluoromethyl)-5-hydroxypentan-2-one;ethyl 2,2-dichloroacetate;5-[4-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]phenyl]pyridine-2-carboxylic acid

(1R,2S)-2-amino-1-[4-(6-butyl-3-pyridinyl)phenyl]-3-fluoropropan-1-ol;5-bromopyridine-2-carbonitrile;tert-butyl (4S,5R)-5-[4-(6-butanoyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-butyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-cyano-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidine-3-carboxylate;(4S,5S)-5-[4-(6-butyl-3-pyridinyl)phenyl]-1,1-dichloro-4-(fluoromethyl)-5-hydroxypentan-2-one;ethyl 2,2-dichloroacetate;5-[4-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]phenyl]pyridine-2-carboxylic acid (PubChem CID 161357081) has the molecular formula C170H212BBrCl4F7N15O25 and a molecular weight of 3231.16 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-[4-(6-butyl-3-pyridinyl)phenyl]-3-fluoropropan-1-ol;5-bromopyridine-2-carbonitrile;tert-butyl (4S,5R)-5-[4-(6-butanoyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-butyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-cyano-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidine-3-carboxylate;(4S,5S)-5-[4-(6-butyl-3-pyridinyl)phenyl]-1,1-dichloro-4-(fluoromethyl)-5-hydroxypentan-2-one;ethyl 2,2-dichloroacetate;5-[4-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]phenyl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: (1R,2S)-2-amino-1-[4-(6-butyl-3-pyridinyl)phenyl]-3-fluoropropan-1-ol;5-bromopyridine-2-carbonitrile;tert-butyl (4S,5R)-5-[4-(6-butanoyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-butyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-cyano-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidine-3-carboxylate;(4S,5S)-5-[4-(6-butyl-3-pyridinyl)phenyl]-1,1-dichloro-4-(fluoromethyl)-5-hydroxypentan-2-one;ethyl 2,2-dichloroacetate;5-[4-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]phenyl]pyridine-2-carboxylic acid
• PubChem CID: 161357081
• Molecular Formula: C170H212BBrCl4F7N15O25
• Molecular Weight: 3231.16 g/mol
• Exact Mass: 3226.37
• IUPAC Name: (1R,2S)-2-amino-1-[4-(6-butyl-3-pyridinyl)phenyl]-3-fluoropropan-1-ol;5-bromopyridine-2-carbonitrile;tert-butyl (4S,5R)-5-[4-(6-butanoyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-butyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-cyano-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidine-3-carboxylate;(4S,5S)-5-[4-(6-butyl-3-pyridinyl)phenyl]-1,1-dichloro-4-(fluoromethyl)-5-hydroxypentan-2-one;ethyl 2,2-dichloroacetate;5-[4-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]phenyl]pyridine-2-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N1[C@H](CF)[C@@H](c2ccc(-c3ccc(C#N)nc3)cc2)OC1(C)C.CC(C)(C)OC(=O)N1[C@H](CF)[C@@H](c2ccc(-c3ccc(C(=O)O)nc3)cc2)OC1(C)C.CC(C)(C)OC(=O)N1[C@H](CF)[C@@H](c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)OC1(C)C.CCCC(=O)c1ccc(-c2ccc([C@H]3OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]3CF)cc2)cn1.CCCCc1ccc(-c2ccc([C@@H](O)[C@@H](CF)CC(=O)C(Cl)Cl)cc2)cn1.CCCCc1ccc(-c2ccc([C@@H](O)[C@H](N)CF)cc2)cn1.CCCCc1ccc(-c2ccc([C@H]3OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]3CF)cc2)cn1.CCOC(=O)C(Cl)Cl.N#Cc1ccc(Br)cn1
• InChI: InChI=1S/C26H33FN2O4.C26H35FN2O3.C23H35BFNO5.C23H26FN3O3.C23H27FN2O5.C21H24Cl2FNO2.C18H23FN2O.C6H3BrN2.C4H6Cl2O2/c1-7-8-22(30)20-14-13-19(16-28-20)17-9-11-18(12-10-17)23-21(15-27)29(26(5,6)32-23)24(31)33-25(2,3)4;1-7-8-9-21-15-14-20(17-28-21)18-10-12-19(13-11-18)23-22(16-27)29(26(5,6)31-23)24(30)32-25(2,3)4;1-20(2,3)29-19(27)26-17(14-25)18(28-23(26,8)9)15-10-12-16(13-11-15)24-30-21(4,5)22(6,7)31-24;1-22(2,3)30-21(28)27-19(12-24)20(29-23(27,4)5)16-8-6-15(7-9-16)17-10-11-18(13-25)26-14-17;1-22(2,3)31-21(29)26-18(12-24)19(30-23(26,4)5)15-8-6-14(7-9-15)16-10-11-17(20(27)28)25-13-16;1-2-3-4-18-10-9-16(13-25-18)14-5-7-15(8-6-14)20(27)17(12-24)11-19(26)21(22)23;1-2-3-4-16-10-9-15(12-21-16)13-5-7-14(8-6-13)18(22)17(20)11-19;7-5-1-2-6(3-8)9-4-5;1-2-8-4(7)3(5)6/h9-14,16,21,23H,7-8,15H2,1-6H3;10-15,17,22-23H,7-9,16H2,1-6H3;10-13,17-18H,14H2,1-9H3;6-11,14,19-20H,12H2,1-5H3;6-11,13,18-19H,12H2,1-5H3,(H,27,28);5-10,13,17,20-21,27H,2-4,11-12H2,1H3;5-10,12,17-18,22H,2-4,11,20H2,1H3;1-2,4H;3H,2H2,1H3/t21-,23-;22-,23-;17-,18-;19-,20-;18-,19-;17-,20-;17-,18-;;/m1111111../s1
• InChIKey: VORNKKSUUURREW-LWYIJQIQSA-N
• XLogP: 38.75
• TPSA: 514.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 41
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3231.16
LogP ≤ 5	38.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-[4-(6-butyl-3-pyridinyl)phenyl]-3-fluoropropan-1-ol;5-bromopyridine-2-carbonitrile;tert-butyl (4S,5R)-5-[4-(6-butanoyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-butyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-cyano-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidine-3-carboxylate;(4S,5S)-5-[4-(6-butyl-3-pyridinyl)phenyl]-1,1-dichloro-4-(fluoromethyl)-5-hydroxypentan-2-one;ethyl 2,2-dichloroacetate;5-[4-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]phenyl]pyridine-2-carboxylic acid?

The IUPAC name of (1R,2S)-2-amino-1-[4-(6-butyl-3-pyridinyl)phenyl]-3-fluoropropan-1-ol;5-bromopyridine-2-carbonitrile;tert-butyl (4S,5R)-5-[4-(6-butanoyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-butyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-cyano-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidine-3-carboxylate;(4S,5S)-5-[4-(6-butyl-3-pyridinyl)phenyl]-1,1-dichloro-4-(fluoromethyl)-5-hydroxypentan-2-one;ethyl 2,2-dichloroacetate;5-[4-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]phenyl]pyridine-2-carboxylic acid (CID 161357081) is (1R,2S)-2-amino-1-[4-(6-butyl-3-pyridinyl)phenyl]-3-fluoropropan-1-ol;5-bromopyridine-2-carbonitrile;tert-butyl (4S,5R)-5-[4-(6-butanoyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-butyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-cyano-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidine-3-carboxylate;(4S,5S)-5-[4-(6-butyl-3-pyridinyl)phenyl]-1,1-dichloro-4-(fluoromethyl)-5-hydroxypentan-2-one;ethyl 2,2-dichloroacetate;5-[4-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]phenyl]pyridine-2-carboxylic acid.

What is the SMILES notation for (1R,2S)-2-amino-1-[4-(6-butyl-3-pyridinyl)phenyl]-3-fluoropropan-1-ol;5-bromopyridine-2-carbonitrile;tert-butyl (4S,5R)-5-[4-(6-butanoyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-butyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-cyano-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidine-3-carboxylate;(4S,5S)-5-[4-(6-butyl-3-pyridinyl)phenyl]-1,1-dichloro-4-(fluoromethyl)-5-hydroxypentan-2-one;ethyl 2,2-dichloroacetate;5-[4-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]phenyl]pyridine-2-carboxylic acid?

The canonical SMILES for (1R,2S)-2-amino-1-[4-(6-butyl-3-pyridinyl)phenyl]-3-fluoropropan-1-ol;5-bromopyridine-2-carbonitrile;tert-butyl (4S,5R)-5-[4-(6-butanoyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-butyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-cyano-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidine-3-carboxylate;(4S,5S)-5-[4-(6-butyl-3-pyridinyl)phenyl]-1,1-dichloro-4-(fluoromethyl)-5-hydroxypentan-2-one;ethyl 2,2-dichloroacetate;5-[4-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]phenyl]pyridine-2-carboxylic acid is CC(C)(C)OC(=O)N1[C@H](CF)[C@@H](c2ccc(-c3ccc(C#N)nc3)cc2)OC1(C)C.CC(C)(C)OC(=O)N1[C@H](CF)[C@@H](c2ccc(-c3ccc(C(=O)O)nc3)cc2)OC1(C)C.CC(C)(C)OC(=O)N1[C@H](CF)[C@@H](c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)OC1(C)C.CCCC(=O)c1ccc(-c2ccc([C@H]3OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]3CF)cc2)cn1.CCCCc1ccc(-c2ccc([C@@H](O)[C@@H](CF)CC(=O)C(Cl)Cl)cc2)cn1.CCCCc1ccc(-c2ccc([C@@H](O)[C@H](N)CF)cc2)cn1.CCCCc1ccc(-c2ccc([C@H]3OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]3CF)cc2)cn1.CCOC(=O)C(Cl)Cl.N#Cc1ccc(Br)cn1.

What is the InChIKey of (1R,2S)-2-amino-1-[4-(6-butyl-3-pyridinyl)phenyl]-3-fluoropropan-1-ol;5-bromopyridine-2-carbonitrile;tert-butyl (4S,5R)-5-[4-(6-butanoyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-butyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-cyano-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidine-3-carboxylate;(4S,5S)-5-[4-(6-butyl-3-pyridinyl)phenyl]-1,1-dichloro-4-(fluoromethyl)-5-hydroxypentan-2-one;ethyl 2,2-dichloroacetate;5-[4-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]phenyl]pyridine-2-carboxylic acid?

The InChIKey is VORNKKSUUURREW-LWYIJQIQSA-N. The full InChI is InChI=1S/C26H33FN2O4.C26H35FN2O3.C23H35BFNO5.C23H26FN3O3.C23H27FN2O5.C21H24Cl2FNO2.C18H23FN2O.C6H3BrN2.C4H6Cl2O2/c1-7-8-22(30)20-14-13-19(16-28-20)17-9-11-18(12-10-17)23-21(15-27)29(26(5,6)32-23)24(31)33-25(2,3)4;1-7-8-9-21-15-14-20(17-28-21)18-10-12-19(13-11-18)23-22(16-27)29(26(5,6)31-23)24(30)32-25(2,3)4;1-20(2,3)29-19(27)26-17(14-25)18(28-23(26,8)9)15-10-12-16(13-11-15)24-30-21(4,5)22(6,7)31-24;1-22(2,3)30-21(28)27-19(12-24)20(29-23(27,4)5)16-8-6-15(7-9-16)17-10-11-18(13-25)26-14-17;1-22(2,3)31-21(29)26-18(12-24)19(30-23(26,4)5)15-8-6-14(7-9-15)16-10-11-17(20(27)28)25-13-16;1-2-3-4-18-10-9-16(13-25-18)14-5-7-15(8-6-14)20(27)17(12-24)11-19(26)21(22)23;1-2-3-4-16-10-9-15(12-21-16)13-5-7-14(8-6-13)18(22)17(20)11-19;7-5-1-2-6(3-8)9-4-5;1-2-8-4(7)3(5)6/h9-14,16,21,23H,7-8,15H2,1-6H3;10-15,17,22-23H,7-9,16H2,1-6H3;10-13,17-18H,14H2,1-9H3;6-11,14,19-20H,12H2,1-5H3;6-11,13,18-19H,12H2,1-5H3,(H,27,28);5-10,13,17,20-21,27H,2-4,11-12H2,1H3;5-10,12,17-18,22H,2-4,11,20H2,1H3;1-2,4H;3H,2H2,1H3/t21-,23-;22-,23-;17-,18-;19-,20-;18-,19-;17-,20-;17-,18-;;/m1111111../s1.

What are the key properties of (1R,2S)-2-amino-1-[4-(6-butyl-3-pyridinyl)phenyl]-3-fluoropropan-1-ol;5-bromopyridine-2-carbonitrile;tert-butyl (4S,5R)-5-[4-(6-butanoyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-butyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-cyano-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidine-3-carboxylate;(4S,5S)-5-[4-(6-butyl-3-pyridinyl)phenyl]-1,1-dichloro-4-(fluoromethyl)-5-hydroxypentan-2-one;ethyl 2,2-dichloroacetate;5-[4-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]phenyl]pyridine-2-carboxylic acid?

(1R,2S)-2-amino-1-[4-(6-butyl-3-pyridinyl)phenyl]-3-fluoropropan-1-ol;5-bromopyridine-2-carbonitrile;tert-butyl (4S,5R)-5-[4-(6-butanoyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-butyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-cyano-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidine-3-carboxylate;(4S,5S)-5-[4-(6-butyl-3-pyridinyl)phenyl]-1,1-dichloro-4-(fluoromethyl)-5-hydroxypentan-2-one;ethyl 2,2-dichloroacetate;5-[4-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]phenyl]pyridine-2-carboxylic acid has a molecular weight of 3231.16 g/mol, XLogP of 38.75, 41 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S)-2-amino-1-[4-(6-butyl-3-pyridinyl)phenyl]-3-fluoropropan-1-ol;5-bromopyridine-2-carbonitrile;tert-butyl (4S,5R)-5-[4-(6-butanoyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-butyl-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-5-[4-(6-cyano-3-pyridinyl)phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl (4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazolidine-3-carboxylate;(4S,5S)-5-[4-(6-butyl-3-pyridinyl)phenyl]-1,1-dichloro-4-(fluoromethyl)-5-hydroxypentan-2-one;ethyl 2,2-dichloroacetate;5-[4-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 161357081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).