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

C23H24F5N3O3 — CID 171579671

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

N-[4-(2-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(3,3-dimethylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (PubChem CID 171579671) has the molecular formula C23H24F5N3O3 and a molecular weight of 485.45 g/mol. Its IUPAC name is N-[4-(2-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(3,3-dimethylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(3,3-dimethylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 171579671
• Molecular Formula: C23H24F5N3O3
• Molecular Weight: 485.45 g/mol
• Exact Mass: 485.17
• IUPAC Name: N-[4-(2-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(3,3-dimethylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
• SMILES: CC1(C)CN(c2nc(C(=O)Nc3cc(F)c(OC4CCC5CC54)c(F)c3)c(CC(F)(F)F)o2)C1
• InChI: InChI=1S/C23H24F5N3O3/c1-22(2)9-31(10-22)21-30-18(17(34-21)8-23(26,27)28)20(32)29-12-6-14(24)19(15(25)7-12)33-16-4-3-11-5-13(11)16/h6-7,11,13,16H,3-5,8-10H2,1-2H3,(H,29,32)
• InChIKey: PLGGEHHDJKCRID-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.45
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[4-(2-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(3,3-dimethylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (CID 171579671) is N-[4-(2-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(3,3-dimethylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.

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

The canonical SMILES for N-[4-(2-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(3,3-dimethylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is CC1(C)CN(c2nc(C(=O)Nc3cc(F)c(OC4CCC5CC54)c(F)c3)c(CC(F)(F)F)o2)C1.

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

The InChIKey is PLGGEHHDJKCRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F5N3O3/c1-22(2)9-31(10-22)21-30-18(17(34-21)8-23(26,27)28)20(32)29-12-6-14(24)19(15(25)7-12)33-16-4-3-11-5-13(11)16/h6-7,11,13,16H,3-5,8-10H2,1-2H3,(H,29,32).

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

N-[4-(2-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(3,3-dimethylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 485.45 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(3,3-dimethylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 171579671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).