cyclopropyl-[3-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methanone

C15H13F3N2O2S — CID 70098441

IUPACcyclopropyl-[3-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methanone
SMILESCSc1noc(-c2ccc(C(F)(F)F)nc2C)c1C(=O)C1CC1
InChIInChI=1S/C15H13F3N2O2S/c1-7-9(5-6-10(19-7)15(16,17)18)13-11(12(21)8-3-4-8)14(23-2)20-22-13/h5-6,8H,3-4H2,1-2H3
InChIKeyGAOKJONCCHYJNS-UHFFFAOYSA-N
MW342.34 g/mol
LogP4.38
Rot. Bonds4

About cyclopropyl-[3-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methanone

cyclopropyl-[3-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methanone (PubChem CID 70098441) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is cyclopropyl-[3-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methanone
PubChem CID70098441
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC Namecyclopropyl-[3-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methanone
SMILESCSc1noc(-c2ccc(C(F)(F)F)nc2C)c1C(=O)C1CC1
InChIInChI=1S/C15H13F3N2O2S/c1-7-9(5-6-10(19-7)15(16,17)18)13-11(12(21)8-3-4-8)14(23-2)20-22-13/h5-6,8H,3-4H2,1-2H3
InChIKeyGAOKJONCCHYJNS-UHFFFAOYSA-N
XLogP4.38
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[3-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methanone 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 cyclopropyl-[3-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methanone?
The IUPAC name of cyclopropyl-[3-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methanone (CID 70098441) is cyclopropyl-[3-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methanone?
The canonical SMILES for cyclopropyl-[3-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methanone is CSc1noc(-c2ccc(C(F)(F)F)nc2C)c1C(=O)C1CC1.
What is the InChIKey of cyclopropyl-[3-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methanone?
The InChIKey is GAOKJONCCHYJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c1-7-9(5-6-10(19-7)15(16,17)18)13-11(12(21)8-3-4-8)14(23-2)20-22-13/h5-6,8H,3-4H2,1-2H3.
What are the key properties of cyclopropyl-[3-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methanone?
cyclopropyl-[3-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methanone has a molecular weight of 342.34 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 70098441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).