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

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Related Compounds

2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106922434
2-[(6-Fluoro-2-pyridinyl)sulfanyl]-4-methyl-1,3-oxazole
CID 106923415
2-[(6-Fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 106923491
4-Methyl-2-[(3,5,6-trifluoro-2-pyridinyl)sulfanyl]-1,3-oxazole
CID 108363096
4,5-Dimethyl-2-[(3,5,6-trifluoro-2-pyridinyl)sulfanyl]-1,3-oxazole
CID 108363098
6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carbonitrile
CID 103850218
2-[(6-Chloropyridazin-3-yl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole
CID 106921293
6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-3-carbonitrile
CID 133433202

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).