(2S)-1,1,1-trifluoro-2-phenyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol

C15H11F3N2O2S — CID 129433214

IUPAC(2S)-1,1,1-trifluoro-2-phenyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
SMILESO[C@@](Cc1nc(-c2ccsc2)no1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H11F3N2O2S/c16-15(17,18)14(21,11-4-2-1-3-5-11)8-12-19-13(20-22-12)10-6-7-23-9-10/h1-7,9,21H,8H2/t14-/m0/s1
InChIKeyKJRUADQDEGDEAO-AWEZNQCLSA-N
MW340.33 g/mol
LogP3.79
Rot. Bonds4

About (2S)-1,1,1-trifluoro-2-phenyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol

(2S)-1,1,1-trifluoro-2-phenyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol (PubChem CID 129433214) has the molecular formula C15H11F3N2O2S and a molecular weight of 340.33 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-2-phenyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-2-phenyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
PubChem CID129433214
Molecular FormulaC15H11F3N2O2S
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC Name(2S)-1,1,1-trifluoro-2-phenyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
SMILESO[C@@](Cc1nc(-c2ccsc2)no1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H11F3N2O2S/c16-15(17,18)14(21,11-4-2-1-3-5-11)8-12-19-13(20-22-12)10-6-7-23-9-10/h1-7,9,21H,8H2/t14-/m0/s1
InChIKeyKJRUADQDEGDEAO-AWEZNQCLSA-N
XLogP3.79
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-phenyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-ol
CID 95306671
1-phenyl-2-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43627790
5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 43627759
4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 43627834
2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43214779
4-thiophen-3-yl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide
CID 100700044
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26689827
N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-1-amine
CID 51252522
N-[3,5-bis(trifluoromethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26689322
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 27298651
4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 54908982
2,2-dimethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 47431933

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-2-phenyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-2-phenyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol (CID 129433214) is (2S)-1,1,1-trifluoro-2-phenyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-2-phenyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-2-phenyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol is O[C@@](Cc1nc(-c2ccsc2)no1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-2-phenyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The InChIKey is KJRUADQDEGDEAO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H11F3N2O2S/c16-15(17,18)14(21,11-4-2-1-3-5-11)8-12-19-13(20-22-12)10-6-7-23-9-10/h1-7,9,21H,8H2/t14-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-2-phenyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol?
(2S)-1,1,1-trifluoro-2-phenyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol has a molecular weight of 340.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-2-phenyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol is sourced from PubChem (CID 129433214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).