5-[[cyclopropanecarbonyl(pentan-3-yl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide

C23H31N3O4 — CID 23741978

About 5-[[cyclopropanecarbonyl(pentan-3-yl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide

5-[[cyclopropanecarbonyl(pentan-3-yl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 23741978) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 5-[[cyclopropanecarbonyl(pentan-3-yl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[cyclopropanecarbonyl(pentan-3-yl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 23741978
• Molecular Formula: C23H31N3O4
• Molecular Weight: 413.52 g/mol
• Exact Mass: 413.23
• IUPAC Name: 5-[[cyclopropanecarbonyl(pentan-3-yl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
• SMILES: CCC(CC)N(Cc1cc(C(=O)NCCc2ccc(OC)cc2)no1)C(=O)C1CC1
• InChI: InChI=1S/C23H31N3O4/c1-4-18(5-2)26(23(28)17-8-9-17)15-20-14-21(25-30-20)22(27)24-13-12-16-6-10-19(29-3)11-7-16/h6-7,10-11,14,17-18H,4-5,8-9,12-13,15H2,1-3H3,(H,24,27)
• InChIKey: RWFYFHLVTZHAIQ-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 84.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.52
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropanecarbonyl(pentan-3-yl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[[cyclopropanecarbonyl(pentan-3-yl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide (CID 23741978) is 5-[[cyclopropanecarbonyl(pentan-3-yl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-[[cyclopropanecarbonyl(pentan-3-yl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-[[cyclopropanecarbonyl(pentan-3-yl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide is CCC(CC)N(Cc1cc(C(=O)NCCc2ccc(OC)cc2)no1)C(=O)C1CC1.

What is the InChIKey of 5-[[cyclopropanecarbonyl(pentan-3-yl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?

The InChIKey is RWFYFHLVTZHAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-4-18(5-2)26(23(28)17-8-9-17)15-20-14-21(25-30-20)22(27)24-13-12-16-6-10-19(29-3)11-7-16/h6-7,10-11,14,17-18H,4-5,8-9,12-13,15H2,1-3H3,(H,24,27).

What are the key properties of 5-[[cyclopropanecarbonyl(pentan-3-yl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?

5-[[cyclopropanecarbonyl(pentan-3-yl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 3.58, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[cyclopropanecarbonyl(pentan-3-yl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23741978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).