5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-3-[4-[2-(dimethylsulfamoylamino)ethoxy]-3-ethyl-5-methylphenyl]-1,2,4-oxadiazole

C24H35N7O4S — CID 68509836

About 5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-3-[4-[2-(dimethylsulfamoylamino)ethoxy]-3-ethyl-5-methylphenyl]-1,2,4-oxadiazole

5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-3-[4-[2-(dimethylsulfamoylamino)ethoxy]-3-ethyl-5-methylphenyl]-1,2,4-oxadiazole (PubChem CID 68509836) has the molecular formula C24H35N7O4S and a molecular weight of 517.66 g/mol. Its IUPAC name is 5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-3-[4-[2-(dimethylsulfamoylamino)ethoxy]-3-ethyl-5-methylphenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-3-[4-[2-(dimethylsulfamoylamino)ethoxy]-3-ethyl-5-methylphenyl]-1,2,4-oxadiazole
• PubChem CID: 68509836
• Molecular Formula: C24H35N7O4S
• Molecular Weight: 517.66 g/mol
• Exact Mass: 517.25
• IUPAC Name: 5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-3-[4-[2-(dimethylsulfamoylamino)ethoxy]-3-ethyl-5-methylphenyl]-1,2,4-oxadiazole
• SMILES: CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)n3)n2)cc(C)c1OCCNS(=O)(=O)N(C)C
• InChI: InChI=1S/C24H35N7O4S/c1-8-18-15-19(13-16(4)21(18)34-12-11-25-36(32,33)30(6)7)22-28-23(35-29-22)20-14-17(5)26-24(27-20)31(9-2)10-3/h13-15,25H,8-12H2,1-7H3
• InChIKey: UVTIXCDVHDEVQG-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 126.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.66
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-3-[4-[2-(dimethylsulfamoylamino)ethoxy]-3-ethyl-5-methylphenyl]-1,2,4-oxadiazole?

The IUPAC name of 5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-3-[4-[2-(dimethylsulfamoylamino)ethoxy]-3-ethyl-5-methylphenyl]-1,2,4-oxadiazole (CID 68509836) is 5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-3-[4-[2-(dimethylsulfamoylamino)ethoxy]-3-ethyl-5-methylphenyl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-3-[4-[2-(dimethylsulfamoylamino)ethoxy]-3-ethyl-5-methylphenyl]-1,2,4-oxadiazole?

The canonical SMILES for 5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-3-[4-[2-(dimethylsulfamoylamino)ethoxy]-3-ethyl-5-methylphenyl]-1,2,4-oxadiazole is CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)n3)n2)cc(C)c1OCCNS(=O)(=O)N(C)C.

What is the InChIKey of 5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-3-[4-[2-(dimethylsulfamoylamino)ethoxy]-3-ethyl-5-methylphenyl]-1,2,4-oxadiazole?

The InChIKey is UVTIXCDVHDEVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7O4S/c1-8-18-15-19(13-16(4)21(18)34-12-11-25-36(32,33)30(6)7)22-28-23(35-29-22)20-14-17(5)26-24(27-20)31(9-2)10-3/h13-15,25H,8-12H2,1-7H3.

What are the key properties of 5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-3-[4-[2-(dimethylsulfamoylamino)ethoxy]-3-ethyl-5-methylphenyl]-1,2,4-oxadiazole?

5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-3-[4-[2-(dimethylsulfamoylamino)ethoxy]-3-ethyl-5-methylphenyl]-1,2,4-oxadiazole has a molecular weight of 517.66 g/mol, XLogP of 2.99, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(diethylamino)-6-methylpyrimidin-4-yl]-3-[4-[2-(dimethylsulfamoylamino)ethoxy]-3-ethyl-5-methylphenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 68509836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).