2-(3-ethyl-3-methoxyazetidin-1-yl)-N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

C52H62F8N8O6 — CID 170720429

About 2-(3-ethyl-3-methoxyazetidin-1-yl)-N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

2-(3-ethyl-3-methoxyazetidin-1-yl)-N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (PubChem CID 170720429) has the molecular formula C52H62F8N8O6 and a molecular weight of 1047.10 g/mol. Its IUPAC name is 2-(3-ethyl-3-methoxyazetidin-1-yl)-N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(3-ethyl-3-methoxyazetidin-1-yl)-N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 170720429
• Molecular Formula: C52H62F8N8O6
• Molecular Weight: 1047.10 g/mol
• Exact Mass: 1046.47
• IUPAC Name: 2-(3-ethyl-3-methoxyazetidin-1-yl)-N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
• SMILES: CC1CCC(N2CCc3cc(NC(=O)c4nc(N5CCC6(COC6)C5)oc4CC(F)(F)F)cc(F)c32)C1.CCC1(OC)CN(c2nc(C(=O)Nc3cc(F)c4c(c3)CCN4C3CCC(C)C3)c(CC(F)(F)F)o2)C1
• InChI: InChI=1S/C26H30F4N4O3.C26H32F4N4O3/c1-15-2-3-18(8-15)34-6-4-16-9-17(10-19(27)22(16)34)31-23(35)21-20(11-26(28,29)30)37-24(32-21)33-7-5-25(12-33)13-36-14-25;1-4-25(36-3)13-33(14-25)24-32-21(20(37-24)12-26(28,29)30)23(35)31-17-10-16-7-8-34(22(16)19(27)11-17)18-6-5-15(2)9-18/h9-10,15,18H,2-8,11-14H2,1H3,(H,31,35);10-11,15,18H,4-9,12-14H2,1-3H3,(H,31,35)
• InChIKey: PKJAHJWYNBDOSB-UHFFFAOYSA-N
• XLogP: 10.29
• TPSA: 141.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1047.10
LogP ≤ 5	10.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-3-methoxyazetidin-1-yl)-N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?

The IUPAC name of 2-(3-ethyl-3-methoxyazetidin-1-yl)-N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (CID 170720429) is 2-(3-ethyl-3-methoxyazetidin-1-yl)-N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 2-(3-ethyl-3-methoxyazetidin-1-yl)-N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for 2-(3-ethyl-3-methoxyazetidin-1-yl)-N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is CC1CCC(N2CCc3cc(NC(=O)c4nc(N5CCC6(COC6)C5)oc4CC(F)(F)F)cc(F)c32)C1.CCC1(OC)CN(c2nc(C(=O)Nc3cc(F)c4c(c3)CCN4C3CCC(C)C3)c(CC(F)(F)F)o2)C1.

What is the InChIKey of 2-(3-ethyl-3-methoxyazetidin-1-yl)-N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?

The InChIKey is PKJAHJWYNBDOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F4N4O3.C26H32F4N4O3/c1-15-2-3-18(8-15)34-6-4-16-9-17(10-19(27)22(16)34)31-23(35)21-20(11-26(28,29)30)37-24(32-21)33-7-5-25(12-33)13-36-14-25;1-4-25(36-3)13-33(14-25)24-32-21(20(37-24)12-26(28,29)30)23(35)31-17-10-16-7-8-34(22(16)19(27)11-17)18-6-5-15(2)9-18/h9-10,15,18H,2-8,11-14H2,1H3,(H,31,35);10-11,15,18H,4-9,12-14H2,1-3H3,(H,31,35).

What are the key properties of 2-(3-ethyl-3-methoxyazetidin-1-yl)-N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?

2-(3-ethyl-3-methoxyazetidin-1-yl)-N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 1047.10 g/mol, XLogP of 10.29, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-ethyl-3-methoxyazetidin-1-yl)-N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;N-[7-fluoro-1-(3-methylcyclopentyl)-2,3-dihydroindol-5-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170720429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).