N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrimidin-4-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide

C76H82F6N24O9 — CID 161057900

About N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrimidin-4-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide

N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrimidin-4-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 161057900) has the molecular formula C76H82F6N24O9 and a molecular weight of 1589.64 g/mol. Its IUPAC name is N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrimidin-4-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrimidin-4-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
• PubChem CID: 161057900
• Molecular Formula: C76H82F6N24O9
• Molecular Weight: 1589.64 g/mol
• Exact Mass: 1588.66
• IUPAC Name: N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrimidin-4-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
• SMILES: CCOC1CCC(n2cc(NC(=O)c3coc(-c4cn[nH]c4)n3)c(-c3ccncn3)n2)CC1.C[C@@H]1CN(C2CCC(n3cc(NC(=O)c4coc(-c5cn[nH]c5)n4)c(-c4cccc(C(F)F)n4)n3)CC2)C[C@H](C)O1.O=C(Nc1cn(C2CCC(N3CCOCC3)CC2)nc1-c1nc(C(F)(F)F)ccc1F)c1coc(-c2cn[nH]c2)n1
• InChI: InChI=1S/C28H32F2N8O3.C26H26F4N8O3.C22H24N8O3/c1-16-12-37(13-17(2)41-16)19-6-8-20(9-7-19)38-14-23(25(36-38)21-4-3-5-22(33-21)26(29)30)34-27(39)24-15-40-28(35-24)18-10-31-32-11-18;27-18-5-6-21(26(28,29)30)35-22(18)23-19(33-24(39)20-14-41-25(34-20)15-11-31-32-12-15)13-38(36-23)17-3-1-16(2-4-17)37-7-9-40-10-8-37;1-2-32-16-5-3-15(4-6-16)30-11-18(20(29-30)17-7-8-23-13-24-17)27-21(31)19-12-33-22(28-19)14-9-25-26-10-14/h3-5,10-11,14-17,19-20,26H,6-9,12-13H2,1-2H3,(H,31,32)(H,34,39);5-6,11-14,16-17H,1-4,7-10H2,(H,31,32)(H,33,39);7-13,15-16H,2-6H2,1H3,(H,25,26)(H,27,31)/t16-,17+,19?,20?
• InChIKey: UCZODAAGYHCMPA-NHUNLENWSA-N
• XLogP: 13.15
• TPSA: 390.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1589.64
LogP ≤ 5	13.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrimidin-4-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrimidin-4-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide (CID 161057900) is N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrimidin-4-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrimidin-4-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrimidin-4-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide is CCOC1CCC(n2cc(NC(=O)c3coc(-c4cn[nH]c4)n3)c(-c3ccncn3)n2)CC1.C[C@@H]1CN(C2CCC(n3cc(NC(=O)c4coc(-c5cn[nH]c5)n4)c(-c4cccc(C(F)F)n4)n3)CC2)C[C@H](C)O1.O=C(Nc1cn(C2CCC(N3CCOCC3)CC2)nc1-c1nc(C(F)(F)F)ccc1F)c1coc(-c2cn[nH]c2)n1.

What is the InChIKey of N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrimidin-4-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?

The InChIKey is UCZODAAGYHCMPA-NHUNLENWSA-N. The full InChI is InChI=1S/C28H32F2N8O3.C26H26F4N8O3.C22H24N8O3/c1-16-12-37(13-17(2)41-16)19-6-8-20(9-7-19)38-14-23(25(36-38)21-4-3-5-22(33-21)26(29)30)34-27(39)24-15-40-28(35-24)18-10-31-32-11-18;27-18-5-6-21(26(28,29)30)35-22(18)23-19(33-24(39)20-14-41-25(34-20)15-11-31-32-12-15)13-38(36-23)17-3-1-16(2-4-17)37-7-9-40-10-8-37;1-2-32-16-5-3-15(4-6-16)30-11-18(20(29-30)17-7-8-23-13-24-17)27-21(31)19-12-33-22(28-19)14-9-25-26-10-14/h3-5,10-11,14-17,19-20,26H,6-9,12-13H2,1-2H3,(H,31,32)(H,34,39);5-6,11-14,16-17H,1-4,7-10H2,(H,31,32)(H,33,39);7-13,15-16H,2-6H2,1H3,(H,25,26)(H,27,31)/t16-,17+,19?,20?;;.

What are the key properties of N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrimidin-4-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?

N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrimidin-4-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 1589.64 g/mol, XLogP of 13.15, 20 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-(difluoromethyl)-2-pyridinyl]-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrimidin-4-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 161057900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).