methyl 5-[[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]sulfamoyl]naphthalene-2-carboxylate

C34H33F3N2O7S — CID 155306142

About methyl 5-[[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]sulfamoyl]naphthalene-2-carboxylate

methyl 5-[[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]sulfamoyl]naphthalene-2-carboxylate (PubChem CID 155306142) has the molecular formula C34H33F3N2O7S and a molecular weight of 670.71 g/mol. Its IUPAC name is methyl 5-[[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]sulfamoyl]naphthalene-2-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]sulfamoyl]naphthalene-2-carboxylate
• PubChem CID: 155306142
• Molecular Formula: C34H33F3N2O7S
• Molecular Weight: 670.71 g/mol
• Exact Mass: 670.20
• IUPAC Name: methyl 5-[[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]sulfamoyl]naphthalene-2-carboxylate
• SMILES: COC(=O)c1ccc2c(S(=O)(=O)NC3C4CCC3CC(OCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)cccc2c1
• InChI: InChI=1S/C34H33F3N2O7S/c1-43-33(40)23-13-14-25-20(15-23)5-4-8-29(25)47(41,42)39-30-21-11-12-22(30)17-24(16-21)44-18-27-31(38-46-32(27)19-9-10-19)26-6-2-3-7-28(26)45-34(35,36)37/h2-8,13-15,19,21-22,24,30,39H,9-12,16-18H2,1H3
• InChIKey: NWQCFHOEZNUADV-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 116.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.71
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]sulfamoyl]naphthalene-2-carboxylate?

The IUPAC name of methyl 5-[[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]sulfamoyl]naphthalene-2-carboxylate (CID 155306142) is methyl 5-[[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]sulfamoyl]naphthalene-2-carboxylate.

What is the SMILES notation for methyl 5-[[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]sulfamoyl]naphthalene-2-carboxylate?

The canonical SMILES for methyl 5-[[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]sulfamoyl]naphthalene-2-carboxylate is COC(=O)c1ccc2c(S(=O)(=O)NC3C4CCC3CC(OCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)cccc2c1.

What is the InChIKey of methyl 5-[[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]sulfamoyl]naphthalene-2-carboxylate?

The InChIKey is NWQCFHOEZNUADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33F3N2O7S/c1-43-33(40)23-13-14-25-20(15-23)5-4-8-29(25)47(41,42)39-30-21-11-12-22(30)17-24(16-21)44-18-27-31(38-46-32(27)19-9-10-19)26-6-2-3-7-28(26)45-34(35,36)37/h2-8,13-15,19,21-22,24,30,39H,9-12,16-18H2,1H3.

What are the key properties of methyl 5-[[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]sulfamoyl]naphthalene-2-carboxylate?

methyl 5-[[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]sulfamoyl]naphthalene-2-carboxylate has a molecular weight of 670.71 g/mol, XLogP of 7.11, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-bicyclo[3.2.1]octanyl]sulfamoyl]naphthalene-2-carboxylate is sourced from PubChem (CID 155306142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).