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

C15H13F3N2O3S — CID 22483918

IUPAC(5-cyclopropyl-3-methylsulfinyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1nc(C(F)(F)F)ccc1C(=O)c1c(S(C)=O)noc1C1CC1
InChIInChI=1S/C15H13F3N2O3S/c1-7-9(5-6-10(19-7)15(16,17)18)12(21)11-13(8-3-4-8)23-20-14(11)24(2)22/h5-6,8H,3-4H2,1-2H3
InChIKeyHZEMVQXDIFSTRU-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.24
Rot. Bonds4

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

(5-cyclopropyl-3-methylsulfinyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 22483918) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is (5-cyclopropyl-3-methylsulfinyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-3-methylsulfinyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID22483918
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC Name(5-cyclopropyl-3-methylsulfinyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1nc(C(F)(F)F)ccc1C(=O)c1c(S(C)=O)noc1C1CC1
InChIInChI=1S/C15H13F3N2O3S/c1-7-9(5-6-10(19-7)15(16,17)18)12(21)11-13(8-3-4-8)23-20-14(11)24(2)22/h5-6,8H,3-4H2,1-2H3
InChIKeyHZEMVQXDIFSTRU-UHFFFAOYSA-N
XLogP3.24
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-3-methylsulfinyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (5-cyclopropyl-3-methylsulfinyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone (CID 22483918) is (5-cyclopropyl-3-methylsulfinyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (5-cyclopropyl-3-methylsulfinyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (5-cyclopropyl-3-methylsulfinyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone is Cc1nc(C(F)(F)F)ccc1C(=O)c1c(S(C)=O)noc1C1CC1.
What is the InChIKey of (5-cyclopropyl-3-methylsulfinyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is HZEMVQXDIFSTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c1-7-9(5-6-10(19-7)15(16,17)18)12(21)11-13(8-3-4-8)23-20-14(11)24(2)22/h5-6,8H,3-4H2,1-2H3.
What are the key properties of (5-cyclopropyl-3-methylsulfinyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
(5-cyclopropyl-3-methylsulfinyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 358.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-3-methylsulfinyl-1,2-oxazol-4-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 22483918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).