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

C20H15ClN4O2S — CID 33202259

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

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 33202259) has the molecular formula C20H15ClN4O2S and a molecular weight of 410.89 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

• Compound Name: N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
• PubChem CID: 33202259
• Molecular Formula: C20H15ClN4O2S
• Molecular Weight: 410.89 g/mol
• Exact Mass: 410.06
• IUPAC Name: N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
• SMILES: Cc1noc(-c2ccc(C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)cc2)n1
• InChI: InChI=1S/C20H15ClN4O2S/c1-12-23-19(27-25-12)15-7-5-14(6-8-15)18(26)24-20-22-11-17(28-20)10-13-3-2-4-16(21)9-13/h2-9,11H,10H2,1H3,(H,22,24,26)
• InChIKey: LIZQGAZXVIIICJ-UHFFFAOYSA-N
• XLogP: 5.00
• 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	410.89
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (CID 33202259) is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

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

The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is Cc1noc(-c2ccc(C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)cc2)n1.

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

The InChIKey is LIZQGAZXVIIICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2S/c1-12-23-19(27-25-12)15-7-5-14(6-8-15)18(26)24-20-22-11-17(28-20)10-13-3-2-4-16(21)9-13/h2-9,11H,10H2,1H3,(H,22,24,26).

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

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 410.89 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 33202259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).