N-[2-(2-azaspiro[3.4]octan-6-yl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide

C28H31N5O3 — CID 174333942

About N-[2-(2-azaspiro[3.4]octan-6-yl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide

N-[2-(2-azaspiro[3.4]octan-6-yl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 174333942) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-[2-(2-azaspiro[3.4]octan-6-yl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-azaspiro[3.4]octan-6-yl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 174333942
• Molecular Formula: C28H31N5O3
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.24
• IUPAC Name: N-[2-(2-azaspiro[3.4]octan-6-yl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide
• SMILES: Cc1cccc(-c2nc(C(=O)Nc3cc4cn(C5CCC6(CNC6)C5)nc4cc3C(C)(C)O)co2)c1
• InChI: InChI=1S/C28H31N5O3/c1-17-5-4-6-18(9-17)26-31-24(14-36-26)25(34)30-23-10-19-13-33(20-7-8-28(12-20)15-29-16-28)32-22(19)11-21(23)27(2,3)35/h4-6,9-11,13-14,20,29,35H,7-8,12,15-16H2,1-3H3,(H,30,34)
• InChIKey: XGVGYSHJMNWPOV-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 105.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-azaspiro[3.4]octan-6-yl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[2-(2-azaspiro[3.4]octan-6-yl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide (CID 174333942) is N-[2-(2-azaspiro[3.4]octan-6-yl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[2-(2-azaspiro[3.4]octan-6-yl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[2-(2-azaspiro[3.4]octan-6-yl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1cccc(-c2nc(C(=O)Nc3cc4cn(C5CCC6(CNC6)C5)nc4cc3C(C)(C)O)co2)c1.

What is the InChIKey of N-[2-(2-azaspiro[3.4]octan-6-yl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide?

The InChIKey is XGVGYSHJMNWPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-17-5-4-6-18(9-17)26-31-24(14-36-26)25(34)30-23-10-19-13-33(20-7-8-28(12-20)15-29-16-28)32-22(19)11-21(23)27(2,3)35/h4-6,9-11,13-14,20,29,35H,7-8,12,15-16H2,1-3H3,(H,30,34).

What are the key properties of N-[2-(2-azaspiro[3.4]octan-6-yl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide?

N-[2-(2-azaspiro[3.4]octan-6-yl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 4.79, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-azaspiro[3.4]octan-6-yl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 174333942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).