3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide

C19H24ClN4O4+ — CID 7404873

About 3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide

3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide (PubChem CID 7404873) has the molecular formula C19H24ClN4O4+ and a molecular weight of 407.88 g/mol. Its IUPAC name is 3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide.

Molecular Properties

• Compound Name: 3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
• PubChem CID: 7404873
• Molecular Formula: C19H24ClN4O4+
• Molecular Weight: 407.88 g/mol
• Exact Mass: 407.15
• IUPAC Name: 3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
• SMILES: Cc1cc(NC(=O)CN(CC[NH+]2CCOCC2)C(=O)c2cccc(Cl)c2)no1
• InChI: InChI=1S/C19H23ClN4O4/c1-14-11-17(22-28-14)21-18(25)13-24(6-5-23-7-9-27-10-8-23)19(26)15-3-2-4-16(20)12-15/h2-4,11-12H,5-10,13H2,1H3,(H,21,22,25)/p+1
• InChIKey: YBTPKYAVFFJWSU-UHFFFAOYSA-O
• XLogP: 0.63
• TPSA: 89.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.88
LogP ≤ 5	0.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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-morpholin-4-ium-4-ylethyl)benzamide?

The IUPAC name of 3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide (CID 7404873) is 3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide.

What is the SMILES notation for 3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide?

The canonical SMILES for 3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide is Cc1cc(NC(=O)CN(CC[NH+]2CCOCC2)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-morpholin-4-ium-4-ylethyl)benzamide?

The InChIKey is YBTPKYAVFFJWSU-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23ClN4O4/c1-14-11-17(22-28-14)21-18(25)13-24(6-5-23-7-9-27-10-8-23)19(26)15-3-2-4-16(20)12-15/h2-4,11-12H,5-10,13H2,1H3,(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-morpholin-4-ium-4-ylethyl)benzamide?

3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide has a molecular weight of 407.88 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 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-morpholin-4-ium-4-ylethyl)benzamide is sourced from PubChem (CID 7404873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).