N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-2-(3-ethyl-3-methoxyazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

C24H27F4N3O4 — CID 170720235

About N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-2-(3-ethyl-3-methoxyazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-2-(3-ethyl-3-methoxyazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (PubChem CID 170720235) has the molecular formula C24H27F4N3O4 and a molecular weight of 497.49 g/mol. Its IUPAC name is N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-2-(3-ethyl-3-methoxyazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-2-(3-ethyl-3-methoxyazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 170720235
• Molecular Formula: C24H27F4N3O4
• Molecular Weight: 497.49 g/mol
• Exact Mass: 497.19
• IUPAC Name: N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-2-(3-ethyl-3-methoxyazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
• SMILES: CCC1(OC)CN(c2nc(C(=O)Nc3ccc(OC4CC5C[C@@H]5C4)c(F)c3)c(CC(F)(F)F)o2)C1
• InChI: InChI=1S/C24H27F4N3O4/c1-3-23(33-2)11-31(12-23)22-30-20(19(35-22)10-24(26,27)28)21(32)29-15-4-5-18(17(25)9-15)34-16-7-13-6-14(13)8-16/h4-5,9,13-14,16H,3,6-8,10-12H2,1-2H3,(H,29,32)/t13-,14?,16?/m1/s1
• InChIKey: WVCYXUJXHMLCEN-VQCLRJIVSA-N
• XLogP: 4.96
• TPSA: 76.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.49
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-2-(3-ethyl-3-methoxyazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-2-(3-ethyl-3-methoxyazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (CID 170720235) is N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-2-(3-ethyl-3-methoxyazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-2-(3-ethyl-3-methoxyazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-2-(3-ethyl-3-methoxyazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is CCC1(OC)CN(c2nc(C(=O)Nc3ccc(OC4CC5C[C@@H]5C4)c(F)c3)c(CC(F)(F)F)o2)C1.

What is the InChIKey of N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-2-(3-ethyl-3-methoxyazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?

The InChIKey is WVCYXUJXHMLCEN-VQCLRJIVSA-N. The full InChI is InChI=1S/C24H27F4N3O4/c1-3-23(33-2)11-31(12-23)22-30-20(19(35-22)10-24(26,27)28)21(32)29-15-4-5-18(17(25)9-15)34-16-7-13-6-14(13)8-16/h4-5,9,13-14,16H,3,6-8,10-12H2,1-2H3,(H,29,32)/t13-,14?,16?/m1/s1.

What are the key properties of N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-2-(3-ethyl-3-methoxyazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?

N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-2-(3-ethyl-3-methoxyazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 497.49 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-2-(3-ethyl-3-methoxyazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170720235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).