2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylacetamide

C13H16N4O4 — CID 91787193

IUPAC2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylacetamide
SMILESCCc1cc(CN(C)C(=O)Cc2cc(=O)[nH][nH]c2=O)on1
InChIInChI=1S/C13H16N4O4/c1-3-9-6-10(21-16-9)7-17(2)12(19)5-8-4-11(18)14-15-13(8)20/h4,6H,3,5,7H2,1-2H3,(H,14,18)(H,15,20)
InChIKeyFUAUDKCJHURGDP-UHFFFAOYSA-N
MW292.30 g/mol
LogP-0.19
Rot. Bonds5

About 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylacetamide

2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylacetamide (PubChem CID 91787193) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylacetamide
PubChem CID91787193
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylacetamide
SMILESCCc1cc(CN(C)C(=O)Cc2cc(=O)[nH][nH]c2=O)on1
InChIInChI=1S/C13H16N4O4/c1-3-9-6-10(21-16-9)7-17(2)12(19)5-8-4-11(18)14-15-13(8)20/h4,6H,3,5,7H2,1-2H3,(H,14,18)(H,15,20)
InChIKeyFUAUDKCJHURGDP-UHFFFAOYSA-N
XLogP-0.19
TPSA112.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(diethylamino)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide
CID 51050537
N-[(3-ethylisoxazol-5-yl)methyl]-N-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 56718357
6-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 72119649
N-cyclohexyl-3-ethyl-1,2-oxazole-5-carboxamide
CID 53016969
N-[(3-ethylisoxazol-5-yl)methyl]-2-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide
CID 77081677
N-((1r,4r)-4-aminocyclohexyl)-3-ethylisoxazole-5-carboxamide
CID 132227796
5-[[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,2-oxazole-3-carbohydrazide
CID 63578539
2-[(3-Ethyl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one
CID 167873099
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 32986533
1-acetyl-N-[(3-ethylisoxazol-5-yl)methyl]-N-methylpiperidin-4-amine
CID 50957834
1-isobutyl-N-[(3-isopropylisoxazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 50958783
N-({1-[(3-ethylisoxazol-5-yl)methyl]-1,2,5,6-tetrahydropyridin-3-yl}methyl)acetamide
CID 50962607

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylacetamide (CID 91787193) is 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylacetamide is CCc1cc(CN(C)C(=O)Cc2cc(=O)[nH][nH]c2=O)on1.
What is the InChIKey of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylacetamide?
The InChIKey is FUAUDKCJHURGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-3-9-6-10(21-16-9)7-17(2)12(19)5-8-4-11(18)14-15-13(8)20/h4,6H,3,5,7H2,1-2H3,(H,14,18)(H,15,20).
What are the key properties of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylacetamide?
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylacetamide has a molecular weight of 292.30 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 91787193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).