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

C25H25ClN4O2S — CID 134021234

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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-propylacetamide (PubChem CID 134021234) has the molecular formula C25H25ClN4O2S and a molecular weight of 481.02 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-propylacetamide.

Molecular Properties

• Compound Name: N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-propylacetamide
• PubChem CID: 134021234
• Molecular Formula: C25H25ClN4O2S
• Molecular Weight: 481.02 g/mol
• Exact Mass: 480.14
• IUPAC Name: N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-propylacetamide
• SMILES: CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1csc(-c2ccc(CC)cc2)n1
• InChI: InChI=1S/C25H25ClN4O2S/c1-3-13-30(15-22-28-29-24(32-22)20-7-5-6-8-21(20)26)23(31)14-19-16-33-25(27-19)18-11-9-17(4-2)10-12-18/h5-12,16H,3-4,13-15H2,1-2H3
• InChIKey: UDWZBIODSVDNHB-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 72.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.02
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-propylacetamide (CID 134021234) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-propylacetamide.

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

The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-propylacetamide is CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1csc(-c2ccc(CC)cc2)n1.

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

The InChIKey is UDWZBIODSVDNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2S/c1-3-13-30(15-22-28-29-24(32-22)20-7-5-6-8-21(20)26)23(31)14-19-16-33-25(27-19)18-11-9-17(4-2)10-12-18/h5-12,16H,3-4,13-15H2,1-2H3.

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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-propylacetamide has a molecular weight of 481.02 g/mol, XLogP of 6.06, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-propylacetamide is sourced from PubChem (CID 134021234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).