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

C15H16N4O4 — CID 53056321

IUPAC2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[2-(furan-2-yl)ethyl]acetamide
SMILESCc1nn(CC(=O)NCCc2ccco2)c(=O)c2noc(C)c12
InChIInChI=1S/C15H16N4O4/c1-9-13-10(2)23-18-14(13)15(21)19(17-9)8-12(20)16-6-5-11-4-3-7-22-11/h3-4,7H,5-6,8H2,1-2H3,(H,16,20)
InChIKeyNGLAUBVFWUZMMP-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.95
Rot. Bonds5

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

2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[2-(furan-2-yl)ethyl]acetamide (PubChem CID 53056321) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[2-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[2-(furan-2-yl)ethyl]acetamide
PubChem CID53056321
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[2-(furan-2-yl)ethyl]acetamide
SMILESCc1nn(CC(=O)NCCc2ccco2)c(=O)c2noc(C)c12
InChIInChI=1S/C15H16N4O4/c1-9-13-10(2)23-18-14(13)15(21)19(17-9)8-12(20)16-6-5-11-4-3-7-22-11/h3-4,7H,5-6,8H2,1-2H3,(H,16,20)
InChIKeyNGLAUBVFWUZMMP-UHFFFAOYSA-N
XLogP0.95
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(3-phenylpropyl)acetamide
CID 53056256
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 53056329
2-(3,4-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
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 61140986
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-(3-methylphenyl)acetamide
CID 53056535
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95064731
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-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]acetamide
CID 131951454
N-cyclopropyl-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
CID 53004694
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 53056524

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-[2-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[2-(furan-2-yl)ethyl]acetamide (CID 53056321) is 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[2-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[2-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[2-(furan-2-yl)ethyl]acetamide is Cc1nn(CC(=O)NCCc2ccco2)c(=O)c2noc(C)c12.
What is the InChIKey of 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[2-(furan-2-yl)ethyl]acetamide?
The InChIKey is NGLAUBVFWUZMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-9-13-10(2)23-18-14(13)15(21)19(17-9)8-12(20)16-6-5-11-4-3-7-22-11/h3-4,7H,5-6,8H2,1-2H3,(H,16,20).
What are the key properties of 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[2-(furan-2-yl)ethyl]acetamide?
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[2-(furan-2-yl)ethyl]acetamide has a molecular weight of 316.32 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-[2-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 53056321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).