2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylphenyl)acetamide

C16H16N4O3 — CID 53056535

IUPAC2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2nc(C)c3c(C)onc3c2=O)c1
InChIInChI=1S/C16H16N4O3/c1-9-5-4-6-12(7-9)17-13(21)8-20-16(22)15-14(10(2)18-20)11(3)23-19-15/h4-7H,8H2,1-3H3,(H,17,21)
InChIKeyOHYGQOPMMJRTLY-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.95
Rot. Bonds3

About 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylphenyl)acetamide

2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylphenyl)acetamide (PubChem CID 53056535) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylphenyl)acetamide
PubChem CID53056535
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2nc(C)c3c(C)onc3c2=O)c1
InChIInChI=1S/C16H16N4O3/c1-9-5-4-6-12(7-9)17-13(21)8-20-16(22)15-14(10(2)18-20)11(3)23-19-15/h4-7H,8H2,1-3H3,(H,17,21)
InChIKeyOHYGQOPMMJRTLY-UHFFFAOYSA-N
XLogP1.95
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
CID 53056489
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 53056524
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)acetamide
CID 53056505
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95064731
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 53056321
2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-phenylacetamide
CID 53056462
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 53056329
2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N-(3-methylphenyl)acetamide
CID 19503823
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662380
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 53056293
3,4-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 53056290

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylphenyl)acetamide (CID 53056535) is 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2nc(C)c3c(C)onc3c2=O)c1.
What is the InChIKey of 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is OHYGQOPMMJRTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-9-5-4-6-12(7-9)17-13(21)8-20-16(22)15-14(10(2)18-20)11(3)23-19-15/h4-7H,8H2,1-3H3,(H,17,21).
What are the key properties of 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylphenyl)acetamide?
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 312.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 53056535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).