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

C25H23N5O5S — CID 50914586

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

3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 50914586) has the molecular formula C25H23N5O5S and a molecular weight of 505.56 g/mol. Its IUPAC name is 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
• PubChem CID: 50914586
• Molecular Formula: C25H23N5O5S
• Molecular Weight: 505.56 g/mol
• Exact Mass: 505.14
• IUPAC Name: 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
• SMILES: Cc1nnc(-c2ccc(Oc3cc(OC4CCN(C)C4=O)cc(C(=O)Nc4ncc(C)s4)c3)cc2)o1
• InChI: InChI=1S/C25H23N5O5S/c1-14-13-26-25(36-14)27-22(31)17-10-19(12-20(11-17)35-21-8-9-30(3)24(21)32)34-18-6-4-16(5-7-18)23-29-28-15(2)33-23/h4-7,10-13,21H,8-9H2,1-3H3,(H,26,27,31)
• InChIKey: GCJVUPWPQZVKKF-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 119.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.56
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 50914586) is 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

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

The canonical SMILES for 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide is Cc1nnc(-c2ccc(Oc3cc(OC4CCN(C)C4=O)cc(C(=O)Nc4ncc(C)s4)c3)cc2)o1.

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

The InChIKey is GCJVUPWPQZVKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O5S/c1-14-13-26-25(36-14)27-22(31)17-10-19(12-20(11-17)35-21-8-9-30(3)24(21)32)34-18-6-4-16(5-7-18)23-29-28-15(2)33-23/h4-7,10-13,21H,8-9H2,1-3H3,(H,26,27,31).

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

3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 505.56 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 50914586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).