3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide

C19H24ClN4O3+ — CID 7296183

About 3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide

3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide (PubChem CID 7296183) has the molecular formula C19H24ClN4O3+ and a molecular weight of 391.88 g/mol. Its IUPAC name is 3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide.

Molecular Properties

• Compound Name: 3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide
• PubChem CID: 7296183
• Molecular Formula: C19H24ClN4O3+
• Molecular Weight: 391.88 g/mol
• Exact Mass: 391.15
• IUPAC Name: 3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide
• SMILES: Cc1cc(NC(=O)CN(CC[NH+]2CCCC2)C(=O)c2cccc(Cl)c2)no1
• InChI: InChI=1S/C19H23ClN4O3/c1-14-11-17(22-27-14)21-18(25)13-24(10-9-23-7-2-3-8-23)19(26)15-5-4-6-16(20)12-15/h4-6,11-12H,2-3,7-10,13H2,1H3,(H,21,22,25)/p+1
• InChIKey: FYOWUAYEFRXJHZ-UHFFFAOYSA-O
• XLogP: 1.40
• TPSA: 79.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.88
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide?

The IUPAC name of 3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide (CID 7296183) is 3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide.

What is the SMILES notation for 3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide?

The canonical SMILES for 3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide is Cc1cc(NC(=O)CN(CC[NH+]2CCCC2)C(=O)c2cccc(Cl)c2)no1.

What is the InChIKey of 3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide?

The InChIKey is FYOWUAYEFRXJHZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23ClN4O3/c1-14-11-17(22-27-14)21-18(25)13-24(10-9-23-7-2-3-8-23)19(26)15-5-4-6-16(20)12-15/h4-6,11-12H,2-3,7-10,13H2,1H3,(H,21,22,25)/p+1.

What are the key properties of 3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide?

3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide has a molecular weight of 391.88 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide is sourced from PubChem (CID 7296183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).