6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-methylsulfonylpyridine-3-carboxamide

C29H31F3N4O7S — CID 171350049

About 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-methylsulfonylpyridine-3-carboxamide

6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-methylsulfonylpyridine-3-carboxamide (PubChem CID 171350049) has the molecular formula C29H31F3N4O7S and a molecular weight of 636.65 g/mol. Its IUPAC name is 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-methylsulfonylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-methylsulfonylpyridine-3-carboxamide
• PubChem CID: 171350049
• Molecular Formula: C29H31F3N4O7S
• Molecular Weight: 636.65 g/mol
• Exact Mass: 636.19
• IUPAC Name: 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-methylsulfonylpyridine-3-carboxamide
• SMILES: CS(=O)(=O)NC(=O)c1ccc(N2CCC3(CC2)CC(OCc2c(-c4ccccc4OC(F)(F)F)noc2C2CC2)CO3)nc1
• InChI: InChI=1S/C29H31F3N4O7S/c1-44(38,39)35-27(37)19-8-9-24(33-15-19)36-12-10-28(11-13-36)14-20(16-41-28)40-17-22-25(34-43-26(22)18-6-7-18)21-4-2-3-5-23(21)42-29(30,31)32/h2-5,8-9,15,18,20H,6-7,10-14,16-17H2,1H3,(H,35,37)
• InChIKey: NPLLTNUZKCYQRF-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 133.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	636.65
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-methylsulfonylpyridine-3-carboxamide?

The IUPAC name of 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-methylsulfonylpyridine-3-carboxamide (CID 171350049) is 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-methylsulfonylpyridine-3-carboxamide.

What is the SMILES notation for 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-methylsulfonylpyridine-3-carboxamide?

The canonical SMILES for 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-methylsulfonylpyridine-3-carboxamide is CS(=O)(=O)NC(=O)c1ccc(N2CCC3(CC2)CC(OCc2c(-c4ccccc4OC(F)(F)F)noc2C2CC2)CO3)nc1.

What is the InChIKey of 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-methylsulfonylpyridine-3-carboxamide?

The InChIKey is NPLLTNUZKCYQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N4O7S/c1-44(38,39)35-27(37)19-8-9-24(33-15-19)36-12-10-28(11-13-36)14-20(16-41-28)40-17-22-25(34-43-26(22)18-6-7-18)21-4-2-3-5-23(21)42-29(30,31)32/h2-5,8-9,15,18,20H,6-7,10-14,16-17H2,1H3,(H,35,37).

What are the key properties of 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-methylsulfonylpyridine-3-carboxamide?

6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-methylsulfonylpyridine-3-carboxamide has a molecular weight of 636.65 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-methylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 171350049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).