N-(cyclopropylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide

C24H26N4O4 — CID 23963547

About N-(cyclopropylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide

N-(cyclopropylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 23963547) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 23963547
• Molecular Formula: C24H26N4O4
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.20
• IUPAC Name: N-(cyclopropylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide
• SMILES: COc1ccc(CCN(Cc2cc(C(=O)NCC3CC3)no2)C(=O)c2cccnc2)cc1
• InChI: InChI=1S/C24H26N4O4/c1-31-20-8-6-17(7-9-20)10-12-28(24(30)19-3-2-11-25-15-19)16-21-13-22(27-32-21)23(29)26-14-18-4-5-18/h2-3,6-9,11,13,15,18H,4-5,10,12,14,16H2,1H3,(H,26,29)
• InChIKey: CVGNCGNWVQJZIE-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 97.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(cyclopropylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide (CID 23963547) is N-(cyclopropylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for N-(cyclopropylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide is COc1ccc(CCN(Cc2cc(C(=O)NCC3CC3)no2)C(=O)c2cccnc2)cc1.

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

The InChIKey is CVGNCGNWVQJZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-31-20-8-6-17(7-9-20)10-12-28(24(30)19-3-2-11-25-15-19)16-21-13-22(27-32-21)23(29)26-14-18-4-5-18/h2-3,6-9,11,13,15,18H,4-5,10,12,14,16H2,1H3,(H,26,29).

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

N-(cyclopropylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23963547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).