3,4-dimethyl-6-(4-morpholin-4-yl-4-oxobutyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one

C15H20N4O4 — CID 53298986

IUPAC3,4-dimethyl-6-(4-morpholin-4-yl-4-oxobutyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(CCCC(=O)N2CCOCC2)c(=O)c2noc(C)c12
InChIInChI=1S/C15H20N4O4/c1-10-13-11(2)23-17-14(13)15(21)19(16-10)5-3-4-12(20)18-6-8-22-9-7-18/h3-9H2,1-2H3
InChIKeyQHBQQDCDHYVUOC-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.64
Rot. Bonds4

About 3,4-dimethyl-6-(4-morpholin-4-yl-4-oxobutyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one

3,4-dimethyl-6-(4-morpholin-4-yl-4-oxobutyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one (PubChem CID 53298986) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3,4-dimethyl-6-(4-morpholin-4-yl-4-oxobutyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name3,4-dimethyl-6-(4-morpholin-4-yl-4-oxobutyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one
PubChem CID53298986
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name3,4-dimethyl-6-(4-morpholin-4-yl-4-oxobutyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(CCCC(=O)N2CCOCC2)c(=O)c2noc(C)c12
InChIInChI=1S/C15H20N4O4/c1-10-13-11(2)23-17-14(13)15(21)19(16-10)5-3-4-12(20)18-6-8-22-9-7-18/h3-9H2,1-2H3
InChIKeyQHBQQDCDHYVUOC-UHFFFAOYSA-N
XLogP0.64
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-(4-morpholin-4-yl-4-oxobutyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 3,4-dimethyl-6-(4-morpholin-4-yl-4-oxobutyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one (CID 53298986) is 3,4-dimethyl-6-(4-morpholin-4-yl-4-oxobutyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 3,4-dimethyl-6-(4-morpholin-4-yl-4-oxobutyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 3,4-dimethyl-6-(4-morpholin-4-yl-4-oxobutyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one is Cc1nn(CCCC(=O)N2CCOCC2)c(=O)c2noc(C)c12.
What is the InChIKey of 3,4-dimethyl-6-(4-morpholin-4-yl-4-oxobutyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The InChIKey is QHBQQDCDHYVUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-10-13-11(2)23-17-14(13)15(21)19(16-10)5-3-4-12(20)18-6-8-22-9-7-18/h3-9H2,1-2H3.
What are the key properties of 3,4-dimethyl-6-(4-morpholin-4-yl-4-oxobutyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one?
3,4-dimethyl-6-(4-morpholin-4-yl-4-oxobutyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one has a molecular weight of 320.35 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-(4-morpholin-4-yl-4-oxobutyl)-[1,2]oxazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 53298986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).