4,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,3-oxazole

C10H8F3N3OS — CID 84593435

IUPAC4,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,3-oxazole
SMILESCc1nc(Sc2ccc(C(F)(F)F)nn2)oc1C
InChIInChI=1S/C10H8F3N3OS/c1-5-6(2)17-9(14-5)18-8-4-3-7(15-16-8)10(11,12)13/h3-4H,1-2H3
InChIKeyDDNPBEUVJHEWJN-UHFFFAOYSA-N
MW275.25 g/mol
LogP3.25
Rot. Bonds2

About 4,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,3-oxazole

4,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,3-oxazole (PubChem CID 84593435) has the molecular formula C10H8F3N3OS and a molecular weight of 275.25 g/mol. Its IUPAC name is 4,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,3-oxazole
PubChem CID84593435
Molecular FormulaC10H8F3N3OS
Molecular Weight275.25 g/mol
Exact Mass275.03
IUPAC Name4,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,3-oxazole
SMILESCc1nc(Sc2ccc(C(F)(F)F)nn2)oc1C
InChIInChI=1S/C10H8F3N3OS/c1-5-6(2)17-9(14-5)18-8-4-3-7(15-16-8)10(11,12)13/h3-4H,1-2H3
InChIKeyDDNPBEUVJHEWJN-UHFFFAOYSA-N
XLogP3.25
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,3-oxazole (CID 84593435) is 4,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,3-oxazole is Cc1nc(Sc2ccc(C(F)(F)F)nn2)oc1C.
What is the InChIKey of 4,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,3-oxazole?
The InChIKey is DDNPBEUVJHEWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3OS/c1-5-6(2)17-9(14-5)18-8-4-3-7(15-16-8)10(11,12)13/h3-4H,1-2H3.
What are the key properties of 4,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,3-oxazole?
4,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,3-oxazole has a molecular weight of 275.25 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,3-oxazole is sourced from PubChem (CID 84593435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).