4,5-dimethyl-2-pyridazin-4-yl-1,3-oxazole

C9H9N3O — CID 139534007

IUPAC4,5-dimethyl-2-pyridazin-4-yl-1,3-oxazole
SMILESCc1nc(-c2ccnnc2)oc1C
InChIInChI=1S/C9H9N3O/c1-6-7(2)13-9(12-6)8-3-4-10-11-5-8/h3-5H,1-2H3
InChIKeyYHFGTINMDFIHOF-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.75
Rot. Bonds1

About 4,5-dimethyl-2-pyridazin-4-yl-1,3-oxazole

4,5-dimethyl-2-pyridazin-4-yl-1,3-oxazole (PubChem CID 139534007) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 4,5-dimethyl-2-pyridazin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-pyridazin-4-yl-1,3-oxazole
PubChem CID139534007
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name4,5-dimethyl-2-pyridazin-4-yl-1,3-oxazole
SMILESCc1nc(-c2ccnnc2)oc1C
InChIInChI=1S/C9H9N3O/c1-6-7(2)13-9(12-6)8-3-4-10-11-5-8/h3-5H,1-2H3
InChIKeyYHFGTINMDFIHOF-UHFFFAOYSA-N
XLogP1.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4,5-dimethyl-1,3-oxazol-2-yl)pyridin-2-amine
CID 82404688
4-(4,5-dimethyl-1,3-oxazol-2-yl)pyridin-2-amine
CID 96625394
4,5-dimethyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole
CID 102525607
5-pyridazin-4-yl-1,2,4-oxadiazole
CID 139534038
4,5-dimethyl-2-(2-pyrrolidin-1-ylphenyl)-1,3-oxazole
CID 168514490
2-(3-bromo-4-methoxyphenyl)-4,5-dimethyl-1,3-oxazole
CID 82489418
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]pyridine-4-carboxamide
CID 5022157
3-(4,5-dimethyl-1,3-oxazol-2-yl)pyridin-2-amine
CID 96625393
4,5-dimethyl-2-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazole
CID 142244739
ethyl 5-pyridazin-4-yl-1,2,4-oxadiazole-3-carboxylate
CID 104672241
2-(4,5-dimethyl-1,3-oxazol-2-yl)aniline
CID 45157007
6-(4,5-dimethyl-1,3-oxazol-2-yl)-5-methylpyrazin-2-amine
CID 150658871

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-pyridazin-4-yl-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-pyridazin-4-yl-1,3-oxazole (CID 139534007) is 4,5-dimethyl-2-pyridazin-4-yl-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-pyridazin-4-yl-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-pyridazin-4-yl-1,3-oxazole is Cc1nc(-c2ccnnc2)oc1C.
What is the InChIKey of 4,5-dimethyl-2-pyridazin-4-yl-1,3-oxazole?
The InChIKey is YHFGTINMDFIHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-6-7(2)13-9(12-6)8-3-4-10-11-5-8/h3-5H,1-2H3.
What are the key properties of 4,5-dimethyl-2-pyridazin-4-yl-1,3-oxazole?
4,5-dimethyl-2-pyridazin-4-yl-1,3-oxazole has a molecular weight of 175.19 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-pyridazin-4-yl-1,3-oxazole is sourced from PubChem (CID 139534007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).