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

C17H18N4O3 — CID 53056326

IUPAC2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)Cn1nc(C)c2c(C)onc2c1=O
InChIInChI=1S/C17H18N4O3/c1-10-6-4-5-7-13(10)8-18-14(22)9-21-17(23)16-15(11(2)19-21)12(3)24-20-16/h4-7H,8-9H2,1-3H3,(H,18,22)
InChIKeyXDRUURGGNXXGDF-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.63
Rot. Bonds4

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

2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 53056326) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2-methylphenyl)methyl]acetamide
PubChem CID53056326
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)Cn1nc(C)c2c(C)onc2c1=O
InChIInChI=1S/C17H18N4O3/c1-10-6-4-5-7-13(10)8-18-14(22)9-21-17(23)16-15(11(2)19-21)12(3)24-20-16/h4-7H,8-9H2,1-3H3,(H,18,22)
InChIKeyXDRUURGGNXXGDF-UHFFFAOYSA-N
XLogP1.63
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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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-[2-(2-methoxyphenyl)ethyl]acetamide
CID 53056329
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-[(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-(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-methylphenyl)acetamide
CID 53056535
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-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 53056293
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
CID 53056319
N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
CID 53056304
N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
CID 53056489

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-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2-methylphenyl)methyl]acetamide (CID 53056326) is 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CNC(=O)Cn1nc(C)c2c(C)onc2c1=O.
What is the InChIKey of 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is XDRUURGGNXXGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-10-6-4-5-7-13(10)8-18-14(22)9-21-17(23)16-15(11(2)19-21)12(3)24-20-16/h4-7H,8-9H2,1-3H3,(H,18,22).
What are the key properties of 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2-methylphenyl)methyl]acetamide?
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 326.36 g/mol, XLogP of 1.63, 4 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-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 53056326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).