4-(2,2-dimethylpropyl)-7-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine

C13H19N3O — CID 91522280

IUPAC4-(2,2-dimethylpropyl)-7-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine
SMILESCC(C)c1nnc(CC(C)(C)C)c2ncoc12
InChIInChI=1S/C13H19N3O/c1-8(2)10-12-11(14-7-17-12)9(15-16-10)6-13(3,4)5/h7-8H,6H2,1-5H3
InChIKeyBWIHAIWKCHOMQL-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.33
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-7-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine

4-(2,2-dimethylpropyl)-7-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine (PubChem CID 91522280) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-7-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-7-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine
PubChem CID91522280
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-(2,2-dimethylpropyl)-7-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine
SMILESCC(C)c1nnc(CC(C)(C)C)c2ncoc12
InChIInChI=1S/C13H19N3O/c1-8(2)10-12-11(14-7-17-12)9(15-16-10)6-13(3,4)5/h7-8H,6H2,1-5H3
InChIKeyBWIHAIWKCHOMQL-UHFFFAOYSA-N
XLogP3.33
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2-methylbutyl)-4-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine
CID 91312537
4-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine
CID 122697307
4-(2,2-dimethylpropyl)-5-phenyl-1,3-oxazole
CID 58157922
4-(2,2-dimethylpropyl)-5-propan-2-yl-1,3-thiazole
CID 171539042
4-(2,2-difluoroethyl)-5-propan-2-yl-1,3-oxazole
CID 169163494
5-(2,2-dimethylpropyl)-3-propan-2-yl-1H-pyrazole
CID 59743848
7-ethyl-4-propan-2-yl-[1,2,5]oxadiazolo[3,4-d]pyridazine
CID 91563806
4,7-ditert-butyl-[1,3]oxazolo[5,4-c]pyridine
CID 59591267
4-propan-2-yl-1,3-oxazole-5-carbaldehyde
CID 83815109
1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;bis(4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine);4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine
CID 158741918
1-(2-methylpropyl)-4-propan-2-yl-5,7-dihydrofuro[3,4-d]pyridazine
CID 91038228
N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145263

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-7-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine?
The IUPAC name of 4-(2,2-dimethylpropyl)-7-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine (CID 91522280) is 4-(2,2-dimethylpropyl)-7-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-7-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-7-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine is CC(C)c1nnc(CC(C)(C)C)c2ncoc12.
What is the InChIKey of 4-(2,2-dimethylpropyl)-7-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine?
The InChIKey is BWIHAIWKCHOMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8(2)10-12-11(14-7-17-12)9(15-16-10)6-13(3,4)5/h7-8H,6H2,1-5H3.
What are the key properties of 4-(2,2-dimethylpropyl)-7-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine?
4-(2,2-dimethylpropyl)-7-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine has a molecular weight of 233.31 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-7-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine is sourced from PubChem (CID 91522280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).