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

C15H22N4O3 — CID 71686501

IUPAC3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylbutyl)propanamide
SMILESCc1nn(CCC(=O)NCCC(C)C)c(=O)c2noc(C)c12
InChIInChI=1S/C15H22N4O3/c1-9(2)5-7-16-12(20)6-8-19-15(21)14-13(10(3)17-19)11(4)22-18-14/h9H,5-8H2,1-4H3,(H,16,20)
InChIKeyYOTGULBCOVKXCC-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.55
Rot. Bonds6

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

3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylbutyl)propanamide (PubChem CID 71686501) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylbutyl)propanamide
PubChem CID71686501
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylbutyl)propanamide
SMILESCc1nn(CCC(=O)NCCC(C)C)c(=O)c2noc(C)c12
InChIInChI=1S/C15H22N4O3/c1-9(2)5-7-16-12(20)6-8-19-15(21)14-13(10(3)17-19)11(4)22-18-14/h9H,5-8H2,1-4H3,(H,16,20)
InChIKeyYOTGULBCOVKXCC-UHFFFAOYSA-N
XLogP1.55
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylbutyl)propanamide (CID 71686501) is 3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylbutyl)propanamide is Cc1nn(CCC(=O)NCCC(C)C)c(=O)c2noc(C)c12.
What is the InChIKey of 3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylbutyl)propanamide?
The InChIKey is YOTGULBCOVKXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-9(2)5-7-16-12(20)6-8-19-15(21)14-13(10(3)17-19)11(4)22-18-14/h9H,5-8H2,1-4H3,(H,16,20).
What are the key properties of 3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylbutyl)propanamide?
3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylbutyl)propanamide has a molecular weight of 306.37 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 71686501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).