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

C21H26N4O6 — CID 4133885

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

N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 4133885) has the molecular formula C21H26N4O6 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxole-5-carboxamide
• PubChem CID: 4133885
• Molecular Formula: C21H26N4O6
• Molecular Weight: 430.46 g/mol
• Exact Mass: 430.19
• IUPAC Name: N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxole-5-carboxamide
• SMILES: Cc1cc(NC(=O)CN(CCCN2CCOCC2)C(=O)c2ccc3c(c2)OCO3)no1
• InChI: InChI=1S/C21H26N4O6/c1-15-11-19(23-31-15)22-20(26)13-25(6-2-5-24-7-9-28-10-8-24)21(27)16-3-4-17-18(12-16)30-14-29-17/h3-4,11-12H,2,5-10,13-14H2,1H3,(H,22,23,26)
• InChIKey: ZMXVTSLXRABULF-UHFFFAOYSA-N
• XLogP: 1.51
• TPSA: 106.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.46
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxole-5-carboxamide (CID 4133885) is N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxole-5-carboxamide.

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

The canonical SMILES for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxole-5-carboxamide is Cc1cc(NC(=O)CN(CCCN2CCOCC2)C(=O)c2ccc3c(c2)OCO3)no1.

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

The InChIKey is ZMXVTSLXRABULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O6/c1-15-11-19(23-31-15)22-20(26)13-25(6-2-5-24-7-9-28-10-8-24)21(27)16-3-4-17-18(12-16)30-14-29-17/h3-4,11-12H,2,5-10,13-14H2,1H3,(H,22,23,26).

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

N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 4133885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).