3-(1-cyclopropylethoxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C25H24N4O4S — CID 88531935

About 3-(1-cyclopropylethoxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide

3-(1-cyclopropylethoxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 88531935) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 3-(1-cyclopropylethoxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 3-(1-cyclopropylethoxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
• PubChem CID: 88531935
• Molecular Formula: C25H24N4O4S
• Molecular Weight: 476.56 g/mol
• Exact Mass: 476.15
• IUPAC Name: 3-(1-cyclopropylethoxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
• SMILES: Cc1csc(NC(=O)c2cc(Oc3ccc(-c4nnc(C)o4)cc3)cc(OC(C)C3CC3)c2)n1
• InChI: InChI=1S/C25H24N4O4S/c1-14-13-34-25(26-14)27-23(30)19-10-21(31-15(2)17-4-5-17)12-22(11-19)33-20-8-6-18(7-9-20)24-29-28-16(3)32-24/h6-13,15,17H,4-5H2,1-3H3,(H,26,27,30)
• InChIKey: FMEJUBZUQGDMPQ-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 99.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.56
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylethoxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?

The IUPAC name of 3-(1-cyclopropylethoxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 88531935) is 3-(1-cyclopropylethoxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

What is the SMILES notation for 3-(1-cyclopropylethoxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?

The canonical SMILES for 3-(1-cyclopropylethoxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2cc(Oc3ccc(-c4nnc(C)o4)cc3)cc(OC(C)C3CC3)c2)n1.

What is the InChIKey of 3-(1-cyclopropylethoxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?

The InChIKey is FMEJUBZUQGDMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-14-13-34-25(26-14)27-23(30)19-10-21(31-15(2)17-4-5-17)12-22(11-19)33-20-8-6-18(7-9-20)24-29-28-16(3)32-24/h6-13,15,17H,4-5H2,1-3H3,(H,26,27,30).

What are the key properties of 3-(1-cyclopropylethoxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?

3-(1-cyclopropylethoxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 476.56 g/mol, XLogP of 6.03, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-cyclopropylethoxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 88531935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).