N-[3-(4,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-morpholin-4-ylcyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide

C93H96F7N31O12 — CID 160549661

About N-[3-(4,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-morpholin-4-ylcyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide

N-[3-(4,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-morpholin-4-ylcyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 160549661) has the molecular formula C93H96F7N31O12 and a molecular weight of 1972.98 g/mol. Its IUPAC name is N-[3-(4,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-morpholin-4-ylcyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-morpholin-4-ylcyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
• PubChem CID: 160549661
• Molecular Formula: C93H96F7N31O12
• Molecular Weight: 1972.98 g/mol
• Exact Mass: 1971.77
• IUPAC Name: N-[3-(4,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-morpholin-4-ylcyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
• SMILES: CCOC1CCC(n2cc(NC(=O)c3coc(-c4cn[nH]c4)n3)c(-c3cc(F)cc(F)n3)n2)CC1.CCOC1CCC(n2cc(NC(=O)c3coc(-c4cn[nH]c4)n3)c(-c3nc(C(F)(F)F)ccc3F)n2)CC1.CCOC1CCC(n2cc(NC(=O)c3coc(-c4cn[nH]c4F)n3)c(-c3cnccn3)n2)CC1.O=C(Nc1cn(C2CCC(N3CCOCC3)CC2)nc1-c1cnccn1)c1coc(-c2cn[nH]c2)n1
• InChI: InChI=1S/C24H23F4N7O3.C24H27N9O3.C23H23F2N7O3.C22H23FN8O3/c1-2-37-15-5-3-14(4-6-15)35-11-17(21(34-35)20-16(25)7-8-19(33-20)24(26,27)28)31-22(36)18-12-38-23(32-18)13-9-29-30-10-13;34-23(21-15-36-24(30-21)16-11-27-28-12-16)29-20-14-33(31-22(20)19-13-25-5-6-26-19)18-3-1-17(2-4-18)32-7-9-35-10-8-32;1-2-34-16-5-3-15(4-6-16)32-11-18(21(31-32)17-7-14(24)8-20(25)28-17)29-22(33)19-12-35-23(30-19)13-9-26-27-10-13;1-2-33-14-5-3-13(4-6-14)31-11-17(19(30-31)16-10-24-7-8-25-16)27-21(32)18-12-34-22(28-18)15-9-26-29-20(15)23/h7-12,14-15H,2-6H2,1H3,(H,29,30)(H,31,36);5-6,11-15,17-18H,1-4,7-10H2,(H,27,28)(H,29,34);7-12,15-16H,2-6H2,1H3,(H,26,27)(H,29,33);7-14H,2-6H2,1H3,(H,26,29)(H,27,32)
• InChIKey: QXWUZIRERGMDNM-UHFFFAOYSA-N
• XLogP: 16.04
• TPSA: 524.02 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 27
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1972.98
LogP ≤ 5	16.04
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-morpholin-4-ylcyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[3-(4,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-morpholin-4-ylcyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide (CID 160549661) is N-[3-(4,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-morpholin-4-ylcyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[3-(4,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-morpholin-4-ylcyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[3-(4,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-morpholin-4-ylcyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide is CCOC1CCC(n2cc(NC(=O)c3coc(-c4cn[nH]c4)n3)c(-c3cc(F)cc(F)n3)n2)CC1.CCOC1CCC(n2cc(NC(=O)c3coc(-c4cn[nH]c4)n3)c(-c3nc(C(F)(F)F)ccc3F)n2)CC1.CCOC1CCC(n2cc(NC(=O)c3coc(-c4cn[nH]c4F)n3)c(-c3cnccn3)n2)CC1.O=C(Nc1cn(C2CCC(N3CCOCC3)CC2)nc1-c1cnccn1)c1coc(-c2cn[nH]c2)n1.

What is the InChIKey of N-[3-(4,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-morpholin-4-ylcyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?

The InChIKey is QXWUZIRERGMDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N7O3.C24H27N9O3.C23H23F2N7O3.C22H23FN8O3/c1-2-37-15-5-3-14(4-6-15)35-11-17(21(34-35)20-16(25)7-8-19(33-20)24(26,27)28)31-22(36)18-12-38-23(32-18)13-9-29-30-10-13;34-23(21-15-36-24(30-21)16-11-27-28-12-16)29-20-14-33(31-22(20)19-13-25-5-6-26-19)18-3-1-17(2-4-18)32-7-9-35-10-8-32;1-2-34-16-5-3-15(4-6-16)32-11-18(21(31-32)17-7-14(24)8-20(25)28-17)29-22(33)19-12-35-23(30-19)13-9-26-27-10-13;1-2-33-14-5-3-13(4-6-14)31-11-17(19(30-31)16-10-24-7-8-25-16)27-21(32)18-12-34-22(28-18)15-9-26-29-20(15)23/h7-12,14-15H,2-6H2,1H3,(H,29,30)(H,31,36);5-6,11-15,17-18H,1-4,7-10H2,(H,27,28)(H,29,34);7-12,15-16H,2-6H2,1H3,(H,26,27)(H,29,33);7-14H,2-6H2,1H3,(H,26,29)(H,27,32).

What are the key properties of N-[3-(4,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-morpholin-4-ylcyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?

N-[3-(4,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-morpholin-4-ylcyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 1972.98 g/mol, XLogP of 16.04, 27 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-ethoxycyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide;N-[1-(4-morpholin-4-ylcyclohexyl)-3-pyrazin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 160549661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).