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

C20H25N3O6 — CID 3681112

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

2,4-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 3681112) has the molecular formula C20H25N3O6 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 2,4-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
• PubChem CID: 3681112
• Molecular Formula: C20H25N3O6
• Molecular Weight: 403.44 g/mol
• Exact Mass: 403.17
• IUPAC Name: 2,4-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
• SMILES: COc1ccc(C(=O)N(CC(=O)Nc2cc(C)on2)CC2CCCO2)c(OC)c1
• InChI: InChI=1S/C20H25N3O6/c1-13-9-18(22-29-13)21-19(24)12-23(11-15-5-4-8-28-15)20(25)16-7-6-14(26-2)10-17(16)27-3/h6-7,9-10,15H,4-5,8,11-12H2,1-3H3,(H,21,22,24)
• InChIKey: BVBNLIGHCIIJFY-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 103.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.44
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2,4-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide (CID 3681112) is 2,4-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide.

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

The canonical SMILES for 2,4-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide is COc1ccc(C(=O)N(CC(=O)Nc2cc(C)on2)CC2CCCO2)c(OC)c1.

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

The InChIKey is BVBNLIGHCIIJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6/c1-13-9-18(22-29-13)21-19(24)12-23(11-15-5-4-8-28-15)20(25)16-7-6-14(26-2)10-17(16)27-3/h6-7,9-10,15H,4-5,8,11-12H2,1-3H3,(H,21,22,24).

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

2,4-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 403.44 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 3681112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).