3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide

C22H30N4O6 — CID 4614213

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

3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 4614213) has the molecular formula C22H30N4O6 and a molecular weight of 446.50 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

• Compound Name: 3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
• PubChem CID: 4614213
• Molecular Formula: C22H30N4O6
• Molecular Weight: 446.50 g/mol
• Exact Mass: 446.22
• IUPAC Name: 3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
• SMILES: COc1cc(OC)cc(C(=O)N(CCCN2CCOCC2)CC(=O)Nc2cc(C)on2)c1
• InChI: InChI=1S/C22H30N4O6/c1-16-11-20(24-32-16)23-21(27)15-26(6-4-5-25-7-9-31-10-8-25)22(28)17-12-18(29-2)14-19(13-17)30-3/h11-14H,4-10,15H2,1-3H3,(H,23,24,27)
• InChIKey: IRXZUFKEXRRHJL-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 106.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.50
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide?

The IUPAC name of 3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide (CID 4614213) is 3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide.

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

The canonical SMILES for 3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide is COc1cc(OC)cc(C(=O)N(CCCN2CCOCC2)CC(=O)Nc2cc(C)on2)c1.

What is the InChIKey of 3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide?

The InChIKey is IRXZUFKEXRRHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O6/c1-16-11-20(24-32-16)23-21(27)15-26(6-4-5-25-7-9-31-10-8-25)22(28)17-12-18(29-2)14-19(13-17)30-3/h11-14H,4-10,15H2,1-3H3,(H,23,24,27).

What are the key properties of 3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide?

3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 446.50 g/mol, XLogP of 1.80, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 4614213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).