(3-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone

C13H10F5NO2S — CID 11110559

IUPAC(3-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone
SMILESO=C(c1ccc(S(F)(F)(F)(F)F)cc1)c1conc1C1CC1
InChIInChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-5-3-9(4-6-10)13(20)11-7-21-19-12(11)8-1-2-8/h3-8H,1-2H2
InChIKeyYUBABRAUFNLLAW-UHFFFAOYSA-N
MW339.29 g/mol
LogP5.44
Rot. Bonds4

About (3-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone

(3-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone (PubChem CID 11110559) has the molecular formula C13H10F5NO2S and a molecular weight of 339.29 g/mol. Its IUPAC name is (3-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone
PubChem CID11110559
Molecular FormulaC13H10F5NO2S
Molecular Weight339.29 g/mol
Exact Mass339.04
IUPAC Name(3-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone
SMILESO=C(c1ccc(S(F)(F)(F)(F)F)cc1)c1conc1C1CC1
InChIInChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-5-3-9(4-6-10)13(20)11-7-21-19-12(11)8-1-2-8/h3-8H,1-2H2
InChIKeyYUBABRAUFNLLAW-UHFFFAOYSA-N
XLogP5.44
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.29
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone?
The IUPAC name of (3-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone (CID 11110559) is (3-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone.
What is the SMILES notation for (3-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone?
The canonical SMILES for (3-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone is O=C(c1ccc(S(F)(F)(F)(F)F)cc1)c1conc1C1CC1.
What is the InChIKey of (3-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone?
The InChIKey is YUBABRAUFNLLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-5-3-9(4-6-10)13(20)11-7-21-19-12(11)8-1-2-8/h3-8H,1-2H2.
What are the key properties of (3-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone?
(3-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone has a molecular weight of 339.29 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone is sourced from PubChem (CID 11110559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).