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

C21H18N4O2S — CID 91150773

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

4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 91150773) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1,3-thiazol-2-ylmethyl)benzamide
• PubChem CID: 91150773
• Molecular Formula: C21H18N4O2S
• Molecular Weight: 390.47 g/mol
• Exact Mass: 390.12
• IUPAC Name: 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1,3-thiazol-2-ylmethyl)benzamide
• SMILES: Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCc4nccs4)cc3)c2)o1
• InChI: InChI=1S/C21H18N4O2S/c1-13-3-4-17(21-25-24-14(2)27-21)11-18(13)15-5-7-16(8-6-15)20(26)23-12-19-22-9-10-28-19/h3-11H,12H2,1-2H3,(H,23,26)
• InChIKey: DROATHKTZNWDII-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.47
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 91150773) is 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1,3-thiazol-2-ylmethyl)benzamide.

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

The canonical SMILES for 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1,3-thiazol-2-ylmethyl)benzamide is Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCc4nccs4)cc3)c2)o1.

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

The InChIKey is DROATHKTZNWDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-13-3-4-17(21-25-24-14(2)27-21)11-18(13)15-5-7-16(8-6-15)20(26)23-12-19-22-9-10-28-19/h3-11H,12H2,1-2H3,(H,23,26).

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

4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1,3-thiazol-2-ylmethyl)benzamide has a molecular weight of 390.47 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 91150773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).