(5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone

C13H10F5NO2S — CID 19367622

IUPAC(5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone
SMILESO=C(c1ccc(S(F)(F)(F)(F)F)cc1)c1cnoc1C1CC1
InChIInChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-5-3-8(4-6-10)12(20)11-7-19-21-13(11)9-1-2-9/h3-7,9H,1-2H2
InChIKeyIDRGJXRDFWEADM-UHFFFAOYSA-N
MW339.29 g/mol
LogP5.44
Rot. Bonds4

About (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone

(5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone (PubChem CID 19367622) has the molecular formula C13H10F5NO2S and a molecular weight of 339.29 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone
PubChem CID19367622
Molecular FormulaC13H10F5NO2S
Molecular Weight339.29 g/mol
Exact Mass339.04
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone
SMILESO=C(c1ccc(S(F)(F)(F)(F)F)cc1)c1cnoc1C1CC1
InChIInChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-5-3-8(4-6-10)12(20)11-7-19-21-13(11)9-1-2-9/h3-7,9H,1-2H2
InChIKeyIDRGJXRDFWEADM-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

Analyze (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]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 (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone (CID 19367622) is (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone is O=C(c1ccc(S(F)(F)(F)(F)F)cc1)c1cnoc1C1CC1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone?
The InChIKey is IDRGJXRDFWEADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-5-3-8(4-6-10)12(20)11-7-19-21-13(11)9-1-2-9/h3-7,9H,1-2H2.
What are the key properties of (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone?
(5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-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 (5-cyclopropyl-1,2-oxazol-4-yl)-[4-(pentafluoro-lambda6-sulfanyl)phenyl]methanone is sourced from PubChem (CID 19367622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).