2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

C26H28F5N3O3 — CID 170720255

About 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (PubChem CID 170720255) has the molecular formula C26H28F5N3O3 and a molecular weight of 525.52 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 170720255
• Molecular Formula: C26H28F5N3O3
• Molecular Weight: 525.52 g/mol
• Exact Mass: 525.21
• IUPAC Name: 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
• SMILES: O=C(Nc1cc(F)c(OC2CC3CC3C2)c(F)c1)c1nc(N2CCC3CCCCC32)oc1CC(F)(F)F
• InChI: InChI=1S/C26H28F5N3O3/c27-18-10-16(11-19(28)23(18)36-17-8-14-7-15(14)9-17)32-24(35)22-21(12-26(29,30)31)37-25(33-22)34-6-5-13-3-1-2-4-20(13)34/h10-11,13-15,17,20H,1-9,12H2,(H,32,35)
• InChIKey: YIAMNDNBSWEAFJ-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.52
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?

The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (CID 170720255) is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is O=C(Nc1cc(F)c(OC2CC3CC3C2)c(F)c1)c1nc(N2CCC3CCCCC32)oc1CC(F)(F)F.

What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?

The InChIKey is YIAMNDNBSWEAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F5N3O3/c27-18-10-16(11-19(28)23(18)36-17-8-14-7-15(14)9-17)32-24(35)22-21(12-26(29,30)31)37-25(33-22)34-6-5-13-3-1-2-4-20(13)34/h10-11,13-15,17,20H,1-9,12H2,(H,32,35).

What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 525.52 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170720255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).