3,4-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one

C14H18N4O3 — CID 53056290

IUPAC3,4-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(CC(=O)N2CCCCC2)c(=O)c2noc(C)c12
InChIInChI=1S/C14H18N4O3/c1-9-12-10(2)21-16-13(12)14(20)18(15-9)8-11(19)17-6-4-3-5-7-17/h3-8H2,1-2H3
InChIKeyYUOZBZFHSOMGQA-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.01
Rot. Bonds2

About 3,4-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one

3,4-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one (PubChem CID 53056290) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3,4-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name3,4-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one
PubChem CID53056290
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name3,4-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(CC(=O)N2CCCCC2)c(=O)c2noc(C)c12
InChIInChI=1S/C14H18N4O3/c1-9-12-10(2)21-16-13(12)14(20)18(15-9)8-11(19)17-6-4-3-5-7-17/h3-8H2,1-2H3
InChIKeyYUOZBZFHSOMGQA-UHFFFAOYSA-N
XLogP1.01
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,4-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one with MolForge

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Related Compounds

3,4-dimethyl-6-(4-morpholin-4-yl-4-oxobutyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 53298986
N-cyclopropyl-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
CID 53004694
6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 71686512
4-(4-chlorophenyl)-6-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 53004690
N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
CID 53056304
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 53056524
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-phenylpropyl)acetamide
CID 53056256
6-[2-(diethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 3039782
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylphenyl)acetamide
CID 53056535
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-[(2-methylphenyl)methyl]acetamide
CID 53056326
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

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 3,4-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one (CID 53056290) is 3,4-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 3,4-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 3,4-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one is Cc1nn(CC(=O)N2CCCCC2)c(=O)c2noc(C)c12.
What is the InChIKey of 3,4-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The InChIKey is YUOZBZFHSOMGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9-12-10(2)21-16-13(12)14(20)18(15-9)8-11(19)17-6-4-3-5-7-17/h3-8H2,1-2H3.
What are the key properties of 3,4-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one?
3,4-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one has a molecular weight of 290.32 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 53056290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).