(3,5-dimethylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

C26H29N3O3 — CID 91912387

About (3,5-dimethylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

(3,5-dimethylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 91912387) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

• Compound Name: (3,5-dimethylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
• PubChem CID: 91912387
• Molecular Formula: C26H29N3O3
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.22
• IUPAC Name: (3,5-dimethylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
• SMILES: Cc1ccc(-c2nnc(C3CN(C(=O)c4cc(C)cc(C)c4)CC34CCOCC4)o2)cc1
• InChI: InChI=1S/C26H29N3O3/c1-17-4-6-20(7-5-17)23-27-28-24(32-23)22-15-29(16-26(22)8-10-31-11-9-26)25(30)21-13-18(2)12-19(3)14-21/h4-7,12-14,22H,8-11,15-16H2,1-3H3
• InChIKey: MYIQLJKBYCLTNN-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 68.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?

The IUPAC name of (3,5-dimethylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 91912387) is (3,5-dimethylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

What is the SMILES notation for (3,5-dimethylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?

The canonical SMILES for (3,5-dimethylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is Cc1ccc(-c2nnc(C3CN(C(=O)c4cc(C)cc(C)c4)CC34CCOCC4)o2)cc1.

What is the InChIKey of (3,5-dimethylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?

The InChIKey is MYIQLJKBYCLTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-17-4-6-20(7-5-17)23-27-28-24(32-23)22-15-29(16-26(22)8-10-31-11-9-26)25(30)21-13-18(2)12-19(3)14-21/h4-7,12-14,22H,8-11,15-16H2,1-3H3.

What are the key properties of (3,5-dimethylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?

(3,5-dimethylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 431.54 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3,5-dimethylphenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 91912387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).