5-ethyl-2-[(2S)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]-1,3-oxazole

C17H19F3N2O3S — CID 24873374

IUPAC5-ethyl-2-[(2S)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]-1,3-oxazole
SMILESCCc1cnc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C17H19F3N2O3S/c1-2-13-11-21-16(25-13)15-5-3-4-10-22(15)26(23,24)14-8-6-12(7-9-14)17(18,19)20/h6-9,11,15H,2-5,10H2,1H3/t15-/m0/s1
InChIKeyZZTXGVSBVJNKQX-HNNXBMFYSA-N
MW388.41 g/mol
LogP4.17
Rot. Bonds4

About 5-ethyl-2-[(2S)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]-1,3-oxazole

5-ethyl-2-[(2S)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]-1,3-oxazole (PubChem CID 24873374) has the molecular formula C17H19F3N2O3S and a molecular weight of 388.41 g/mol. Its IUPAC name is 5-ethyl-2-[(2S)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-2-[(2S)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]-1,3-oxazole
PubChem CID24873374
Molecular FormulaC17H19F3N2O3S
Molecular Weight388.41 g/mol
Exact Mass388.11
IUPAC Name5-ethyl-2-[(2S)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]-1,3-oxazole
SMILESCCc1cnc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C17H19F3N2O3S/c1-2-13-11-21-16(25-13)15-5-3-4-10-22(15)26(23,24)14-8-6-12(7-9-14)17(18,19)20/h6-9,11,15H,2-5,10H2,1H3/t15-/m0/s1
InChIKeyZZTXGVSBVJNKQX-HNNXBMFYSA-N
XLogP4.17
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(2S)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]-1,3-oxazole?
The IUPAC name of 5-ethyl-2-[(2S)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]-1,3-oxazole (CID 24873374) is 5-ethyl-2-[(2S)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]-1,3-oxazole.
What is the SMILES notation for 5-ethyl-2-[(2S)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]-1,3-oxazole?
The canonical SMILES for 5-ethyl-2-[(2S)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]-1,3-oxazole is CCc1cnc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 5-ethyl-2-[(2S)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]-1,3-oxazole?
The InChIKey is ZZTXGVSBVJNKQX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19F3N2O3S/c1-2-13-11-21-16(25-13)15-5-3-4-10-22(15)26(23,24)14-8-6-12(7-9-14)17(18,19)20/h6-9,11,15H,2-5,10H2,1H3/t15-/m0/s1.
What are the key properties of 5-ethyl-2-[(2S)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]-1,3-oxazole?
5-ethyl-2-[(2S)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]-1,3-oxazole has a molecular weight of 388.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(2S)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]-1,3-oxazole is sourced from PubChem (CID 24873374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).