oxolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C9H8F3NO2S — CID 106782517

IUPACoxolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1CCCO1
InChIInChI=1S/C9H8F3NO2S/c10-9(11,12)8-13-4-6(16-8)7(14)5-2-1-3-15-5/h4-5H,1-3H2
InChIKeyFMCVRHPOXMDJOI-UHFFFAOYSA-N
MW251.23 g/mol
LogP2.52
Rot. Bonds2

About oxolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

oxolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782517) has the molecular formula C9H8F3NO2S and a molecular weight of 251.23 g/mol. Its IUPAC name is oxolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782517
Molecular FormulaC9H8F3NO2S
Molecular Weight251.23 g/mol
Exact Mass251.02
IUPAC Nameoxolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1CCCO1
InChIInChI=1S/C9H8F3NO2S/c10-9(11,12)8-13-4-6(16-8)7(14)5-2-1-3-15-5/h4-5H,1-3H2
InChIKeyFMCVRHPOXMDJOI-UHFFFAOYSA-N
XLogP2.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze oxolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-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

Related Compounds

(2-Ethyloxolan-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 105743920
2-(Oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782429
2-Propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782460
2-Ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782500
4-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782506
Oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782520
2-Ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782538
2-Methoxy-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782574
2-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782578
(4-Ethylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782579
(4-Propylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782580
1,4-Oxathian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782584

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of oxolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782517) is oxolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for oxolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1cnc(C(F)(F)F)s1)C1CCCO1.
What is the InChIKey of oxolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is FMCVRHPOXMDJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2S/c10-9(11,12)8-13-4-6(16-8)7(14)5-2-1-3-15-5/h4-5H,1-3H2.
What are the key properties of oxolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
oxolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 251.23 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).