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

C15H13F3N2O2S — CID 22483913

IUPAC(5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCSc1noc(C2CC2)c1C(=O)c1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C15H13F3N2O2S/c1-7-9(5-6-10(19-7)15(16,17)18)12(21)11-13(8-3-4-8)22-20-14(11)23-2/h5-6,8H,3-4H2,1-2H3
InChIKeyRUVLWBHLEBEFEI-UHFFFAOYSA-N
MW342.34 g/mol
LogP4.23
Rot. Bonds4

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

(5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 22483913) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID22483913
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC Name(5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCSc1noc(C2CC2)c1C(=O)c1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C15H13F3N2O2S/c1-7-9(5-6-10(19-7)15(16,17)18)12(21)11-13(8-3-4-8)22-20-14(11)23-2/h5-6,8H,3-4H2,1-2H3
InChIKeyRUVLWBHLEBEFEI-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone (CID 22483913) is (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone is CSc1noc(C2CC2)c1C(=O)c1ccc(C(F)(F)F)nc1C.
What is the InChIKey of (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is RUVLWBHLEBEFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c1-7-9(5-6-10(19-7)15(16,17)18)12(21)11-13(8-3-4-8)22-20-14(11)23-2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
(5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 342.34 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 22483913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).