(4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;3-[4-(6-amino-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C117H142BBrF3N15O15S — CID 158449794

About (4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;3-[4-(6-amino-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

(4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;3-[4-(6-amino-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 158449794) has the molecular formula C117H142BBrF3N15O15S and a molecular weight of 2178.29 g/mol. Its IUPAC name is (4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;3-[4-(6-amino-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: (4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;3-[4-(6-amino-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• PubChem CID: 158449794
• Molecular Formula: C117H142BBrF3N15O15S
• Molecular Weight: 2178.29 g/mol
• Exact Mass: 2175.98
• IUPAC Name: (4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;3-[4-(6-amino-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• SMILES: CC1(C)OB(c2ccc(N)nc2)OC1(C)C.CC1(C)OC(=O)N(C2CC=C(OS(=O)(=O)C(F)(F)F)CC2)C1c1ccccc1.CC1(C)OC(=O)N(C2CC=C(c3ccc(N)nc3)CC2)C1c1ccccc1.CC1(C)OC(=O)N(C2CCC(c3ccc(N)nc3)CC2)[C@@H]1c1ccccc1.CC1(C)OC(=O)N(C2CCC(c3ccc(N)nc3)CC2)[C@H]1c1ccccc1.CC1(C)OC(=O)N(C2CCC(c3cnc(N)c(Br)c3)CC2)[C@@H]1c1ccccc1
• InChI: InChI=1S/C22H26BrN3O2.2C22H27N3O2.C22H25N3O2.C18H20F3NO5S.C11H17BN2O2/c1-22(2)19(15-6-4-3-5-7-15)26(21(27)28-22)17-10-8-14(9-11-17)16-12-18(23)20(24)25-13-16;3*1-22(2)20(16-6-4-3-5-7-16)25(21(26)27-22)18-11-8-15(9-12-18)17-10-13-19(23)24-14-17;1-17(2)15(12-6-4-3-5-7-12)22(16(23)26-17)13-8-10-14(11-9-13)27-28(24,25)18(19,20)21;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h3-7,12-14,17,19H,8-11H2,1-2H3,(H2,24,25);2*3-7,10,13-15,18,20H,8-9,11-12H2,1-2H3,(H2,23,24);3-8,10,13-14,18,20H,9,11-12H2,1-2H3,(H2,23,24);3-7,10,13,15H,8-9,11H2,1-2H3;5-7H,1-4H3,(H2,13,14)/t14?,17?,19-;2*15?,18?,20-;;;/m110.../s1
• InChIKey: HDVLLWZLCZEBFU-NNOYOYAZSA-N
• XLogP: 24.54
• TPSA: 404.08 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2178.29
LogP ≤ 5	24.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;3-[4-(6-amino-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The IUPAC name of (4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;3-[4-(6-amino-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 158449794) is (4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;3-[4-(6-amino-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

What is the SMILES notation for (4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;3-[4-(6-amino-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The canonical SMILES for (4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;3-[4-(6-amino-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC1(C)OB(c2ccc(N)nc2)OC1(C)C.CC1(C)OC(=O)N(C2CC=C(OS(=O)(=O)C(F)(F)F)CC2)C1c1ccccc1.CC1(C)OC(=O)N(C2CC=C(c3ccc(N)nc3)CC2)C1c1ccccc1.CC1(C)OC(=O)N(C2CCC(c3ccc(N)nc3)CC2)[C@@H]1c1ccccc1.CC1(C)OC(=O)N(C2CCC(c3ccc(N)nc3)CC2)[C@H]1c1ccccc1.CC1(C)OC(=O)N(C2CCC(c3cnc(N)c(Br)c3)CC2)[C@@H]1c1ccccc1.

What is the InChIKey of (4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;3-[4-(6-amino-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The InChIKey is HDVLLWZLCZEBFU-NNOYOYAZSA-N. The full InChI is InChI=1S/C22H26BrN3O2.2C22H27N3O2.C22H25N3O2.C18H20F3NO5S.C11H17BN2O2/c1-22(2)19(15-6-4-3-5-7-15)26(21(27)28-22)17-10-8-14(9-11-17)16-12-18(23)20(24)25-13-16;3*1-22(2)20(16-6-4-3-5-7-16)25(21(26)27-22)18-11-8-15(9-12-18)17-10-13-19(23)24-14-17;1-17(2)15(12-6-4-3-5-7-12)22(16(23)26-17)13-8-10-14(11-9-13)27-28(24,25)18(19,20)21;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h3-7,12-14,17,19H,8-11H2,1-2H3,(H2,24,25);2*3-7,10,13-15,18,20H,8-9,11-12H2,1-2H3,(H2,23,24);3-8,10,13-14,18,20H,9,11-12H2,1-2H3,(H2,23,24);3-7,10,13,15H,8-9,11H2,1-2H3;5-7H,1-4H3,(H2,13,14)/t14?,17?,19-;2*15?,18?,20-;;;/m110.../s1.

What are the key properties of (4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;3-[4-(6-amino-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

(4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;3-[4-(6-amino-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 2178.29 g/mol, XLogP of 24.54, 17 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[4-(6-amino-5-bromo-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;3-[4-(6-amino-3-pyridinyl)cyclohex-3-en-1-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;[4-(5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl)cyclohexen-1-yl] trifluoromethanesulfonate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 158449794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).