N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide

C16H22N6O3 — CID 71872628

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCOC(CN(C)c3cccnn3)C2)no1
InChIInChI=1S/C16H22N6O3/c1-12-8-14(20-25-12)18-16(23)11-22-6-7-24-13(10-22)9-21(2)15-4-3-5-17-19-15/h3-5,8,13H,6-7,9-11H2,1-2H3,(H,18,20,23)
InChIKeyMTERVZBEYRHZEL-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.55
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide (PubChem CID 71872628) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide
PubChem CID71872628
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCOC(CN(C)c3cccnn3)C2)no1
InChIInChI=1S/C16H22N6O3/c1-12-8-14(20-25-12)18-16(23)11-22-6-7-24-13(10-22)9-21(2)15-4-3-5-17-19-15/h3-5,8,13H,6-7,9-11H2,1-2H3,(H,18,20,23)
InChIKeyMTERVZBEYRHZEL-UHFFFAOYSA-N
XLogP0.55
TPSA96.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide (CID 71872628) is N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide is Cc1cc(NC(=O)CN2CCOC(CN(C)c3cccnn3)C2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide?
The InChIKey is MTERVZBEYRHZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-12-8-14(20-25-12)18-16(23)11-22-6-7-24-13(10-22)9-21(2)15-4-3-5-17-19-15/h3-5,8,13H,6-7,9-11H2,1-2H3,(H,18,20,23).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide has a molecular weight of 346.39 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide is sourced from PubChem (CID 71872628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).