3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-N-[3-(methylsulfonylcarbamoyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide

C30H34N4O6S — CID 134528862

About 3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-N-[3-(methylsulfonylcarbamoyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide

3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-N-[3-(methylsulfonylcarbamoyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 134528862) has the molecular formula C30H34N4O6S and a molecular weight of 578.69 g/mol. Its IUPAC name is 3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-N-[3-(methylsulfonylcarbamoyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

• Compound Name: 3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-N-[3-(methylsulfonylcarbamoyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
• PubChem CID: 134528862
• Molecular Formula: C30H34N4O6S
• Molecular Weight: 578.69 g/mol
• Exact Mass: 578.22
• IUPAC Name: 3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-N-[3-(methylsulfonylcarbamoyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
• SMILES: Cc1ccccc1-c1noc(C2CC2)c1COC1CC2CCC(C1)N2C(=O)Nc1cccc(C(=O)NS(C)(=O)=O)c1
• InChI: InChI=1S/C30H34N4O6S/c1-18-6-3-4-9-25(18)27-26(28(40-32-27)19-10-11-19)17-39-24-15-22-12-13-23(16-24)34(22)30(36)31-21-8-5-7-20(14-21)29(35)33-41(2,37)38/h3-9,14,19,22-24H,10-13,15-17H2,1-2H3,(H,31,36)(H,33,35)
• InChIKey: UOYYWAIOJRTOBK-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 130.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.69
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-N-[3-(methylsulfonylcarbamoyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?

The IUPAC name of 3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-N-[3-(methylsulfonylcarbamoyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 134528862) is 3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-N-[3-(methylsulfonylcarbamoyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide.

What is the SMILES notation for 3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-N-[3-(methylsulfonylcarbamoyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?

The canonical SMILES for 3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-N-[3-(methylsulfonylcarbamoyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide is Cc1ccccc1-c1noc(C2CC2)c1COC1CC2CCC(C1)N2C(=O)Nc1cccc(C(=O)NS(C)(=O)=O)c1.

What is the InChIKey of 3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-N-[3-(methylsulfonylcarbamoyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?

The InChIKey is UOYYWAIOJRTOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O6S/c1-18-6-3-4-9-25(18)27-26(28(40-32-27)19-10-11-19)17-39-24-15-22-12-13-23(16-24)34(22)30(36)31-21-8-5-7-20(14-21)29(35)33-41(2,37)38/h3-9,14,19,22-24H,10-13,15-17H2,1-2H3,(H,31,36)(H,33,35).

What are the key properties of 3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-N-[3-(methylsulfonylcarbamoyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide?

3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-N-[3-(methylsulfonylcarbamoyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 578.69 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]methoxy]-N-[3-(methylsulfonylcarbamoyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 134528862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).