2-(benzimidazol-1-ylmethyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide

C19H19N5O2S — CID 42217276

About 2-(benzimidazol-1-ylmethyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide

2-(benzimidazol-1-ylmethyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 42217276) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-(benzimidazol-1-ylmethyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(benzimidazol-1-ylmethyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 42217276
• Molecular Formula: C19H19N5O2S
• Molecular Weight: 381.46 g/mol
• Exact Mass: 381.13
• IUPAC Name: 2-(benzimidazol-1-ylmethyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
• SMILES: Cc1nc(CCNC(=O)c2coc(Cn3cnc4ccccc43)n2)sc1C
• InChI: InChI=1S/C19H19N5O2S/c1-12-13(2)27-18(22-12)7-8-20-19(25)15-10-26-17(23-15)9-24-11-21-14-5-3-4-6-16(14)24/h3-6,10-11H,7-9H2,1-2H3,(H,20,25)
• InChIKey: AQPIZFLZNDYQMD-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.46
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide (CID 42217276) is 2-(benzimidazol-1-ylmethyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 2-(benzimidazol-1-ylmethyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for 2-(benzimidazol-1-ylmethyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide is Cc1nc(CCNC(=O)c2coc(Cn3cnc4ccccc43)n2)sc1C.

What is the InChIKey of 2-(benzimidazol-1-ylmethyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide?

The InChIKey is AQPIZFLZNDYQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-12-13(2)27-18(22-12)7-8-20-19(25)15-10-26-17(23-15)9-24-11-21-14-5-3-4-6-16(14)24/h3-6,10-11H,7-9H2,1-2H3,(H,20,25).

What are the key properties of 2-(benzimidazol-1-ylmethyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide?

2-(benzimidazol-1-ylmethyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzimidazol-1-ylmethyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42217276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).