5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3H-1,3-oxazol-2-one;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C58H71BClF3N10O10 — CID 164978474

About 5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3H-1,3-oxazol-2-one;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3H-1,3-oxazol-2-one;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 164978474) has the molecular formula C58H71BClF3N10O10 and a molecular weight of 1171.52 g/mol. Its IUPAC name is 5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3H-1,3-oxazol-2-one;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3H-1,3-oxazol-2-one;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• PubChem CID: 164978474
• Molecular Formula: C58H71BClF3N10O10
• Molecular Weight: 1171.52 g/mol
• Exact Mass: 1170.51
• IUPAC Name: 5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3H-1,3-oxazol-2-one;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• SMILES: CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4c[nH]c(=O)o4)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.O=c1[nH]cc(-c2cc(Cl)cc(N3CCOCC3)n2)o1
• InChI: InChI=1S/C26H31N5O4.C20H28BF3N2O3.C12H12ClN3O3/c1-3-18-6-7-31(16-18)25(32)28-20-5-4-17(2)21(14-20)19-12-22(23-15-27-26(33)35-23)29-24(13-19)30-8-10-34-11-9-30;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;13-8-5-9(10-7-14-12(17)19-10)15-11(6-8)16-1-3-18-4-2-16/h4-5,12-15,18H,3,6-11,16H2,1-2H3,(H,27,33)(H,28,32);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);5-7H,1-4H2,(H,14,17)/t18-;14-;/m10./s1
• InChIKey: FCYRGLMAJGOEMO-FUHOWXEXSA-N
• XLogP: 9.73
• TPSA: 225.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1171.52
LogP ≤ 5	9.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3H-1,3-oxazol-2-one;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The IUPAC name of 5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3H-1,3-oxazol-2-one;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 164978474) is 5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3H-1,3-oxazol-2-one;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

What is the SMILES notation for 5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3H-1,3-oxazol-2-one;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The canonical SMILES for 5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3H-1,3-oxazol-2-one;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4c[nH]c(=O)o4)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.O=c1[nH]cc(-c2cc(Cl)cc(N3CCOCC3)n2)o1.

What is the InChIKey of 5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3H-1,3-oxazol-2-one;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The InChIKey is FCYRGLMAJGOEMO-FUHOWXEXSA-N. The full InChI is InChI=1S/C26H31N5O4.C20H28BF3N2O3.C12H12ClN3O3/c1-3-18-6-7-31(16-18)25(32)28-20-5-4-17(2)21(14-20)19-12-22(23-15-27-26(33)35-23)29-24(13-19)30-8-10-34-11-9-30;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;13-8-5-9(10-7-14-12(17)19-10)15-11(6-8)16-1-3-18-4-2-16/h4-5,12-15,18H,3,6-11,16H2,1-2H3,(H,27,33)(H,28,32);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);5-7H,1-4H2,(H,14,17)/t18-;14-;/m10./s1.

What are the key properties of 5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3H-1,3-oxazol-2-one;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3H-1,3-oxazol-2-one;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 1171.52 g/mol, XLogP of 9.73, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3H-1,3-oxazol-2-one;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(2-oxo-3H-1,3-oxazol-5-yl)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 164978474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).