[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-dimethoxy-4-methylbenzoate

C22H22N2O6 — CID 46645148

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-dimethoxy-4-methylbenzoate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-dimethoxy-4-methylbenzoate (PubChem CID 46645148) has the molecular formula C22H22N2O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-dimethoxy-4-methylbenzoate.

Molecular Properties

• Compound Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-dimethoxy-4-methylbenzoate
• PubChem CID: 46645148
• Molecular Formula: C22H22N2O6
• Molecular Weight: 410.43 g/mol
• Exact Mass: 410.15
• IUPAC Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-dimethoxy-4-methylbenzoate
• SMILES: COc1cc(C(=O)OC(C(=O)Nc2cc(C)on2)c2ccccc2)cc(OC)c1C
• InChI: InChI=1S/C22H22N2O6/c1-13-10-19(24-30-13)23-21(25)20(15-8-6-5-7-9-15)29-22(26)16-11-17(27-3)14(2)18(12-16)28-4/h5-12,20H,1-4H3,(H,23,24,25)
• InChIKey: WWPMMXJEVQEEJD-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 99.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.43
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-dimethoxy-4-methylbenzoate?

The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-dimethoxy-4-methylbenzoate (CID 46645148) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-dimethoxy-4-methylbenzoate.

What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-dimethoxy-4-methylbenzoate?

The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-dimethoxy-4-methylbenzoate is COc1cc(C(=O)OC(C(=O)Nc2cc(C)on2)c2ccccc2)cc(OC)c1C.

What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-dimethoxy-4-methylbenzoate?

The InChIKey is WWPMMXJEVQEEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6/c1-13-10-19(24-30-13)23-21(25)20(15-8-6-5-7-9-15)29-22(26)16-11-17(27-3)14(2)18(12-16)28-4/h5-12,20H,1-4H3,(H,23,24,25).

What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-dimethoxy-4-methylbenzoate?

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-dimethoxy-4-methylbenzoate has a molecular weight of 410.43 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-dimethoxy-4-methylbenzoate is sourced from PubChem (CID 46645148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).