3-ethyl-5-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole

C15H17FN2O3S — CID 92894196

IUPAC3-ethyl-5-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
SMILESCCc1cc([C@H]2CCCN2S(=O)(=O)c2ccccc2F)on1
InChIInChI=1S/C15H17FN2O3S/c1-2-11-10-14(21-17-11)13-7-5-9-18(13)22(19,20)15-8-4-3-6-12(15)16/h3-4,6,8,10,13H,2,5,7,9H2,1H3/t13-/m1/s1
InChIKeyRTPCUXCWWDKQRM-CYBMUJFWSA-N
MW324.38 g/mol
LogP2.90
Rot. Bonds4

About 3-ethyl-5-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole

3-ethyl-5-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole (PubChem CID 92894196) has the molecular formula C15H17FN2O3S and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-ethyl-5-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
PubChem CID92894196
Molecular FormulaC15H17FN2O3S
Molecular Weight324.38 g/mol
Exact Mass324.09
IUPAC Name3-ethyl-5-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
SMILESCCc1cc([C@H]2CCCN2S(=O)(=O)c2ccccc2F)on1
InChIInChI=1S/C15H17FN2O3S/c1-2-11-10-14(21-17-11)13-7-5-9-18(13)22(19,20)15-8-4-3-6-12(15)16/h3-4,6,8,10,13H,2,5,7,9H2,1H3/t13-/m1/s1
InChIKeyRTPCUXCWWDKQRM-CYBMUJFWSA-N
XLogP2.90
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 92894119
5-[(2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 92894142
5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 92894205
3-ethyl-5-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92894114
3-ethyl-5-[(2S)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92894173
4-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 92894200
1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 92893660
5-[1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 46366395
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)sulfonylpyrrolidine
CID 51169907
2-(2,5-difluorophenyl)-1-(2-ethylphenyl)sulfonylpyrrolidine
CID 166330262
2-(4-ethyl-1,2,4-triazol-3-yl)-1-(2-fluorophenyl)sulfonylpiperidine
CID 87052122
1-(2-fluorophenyl)sulfonyl-2,3-dimethylpiperidine
CID 62122855

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-ethyl-5-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole (CID 92894196) is 3-ethyl-5-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole is CCc1cc([C@H]2CCCN2S(=O)(=O)c2ccccc2F)on1.
What is the InChIKey of 3-ethyl-5-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is RTPCUXCWWDKQRM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17FN2O3S/c1-2-11-10-14(21-17-11)13-7-5-9-18(13)22(19,20)15-8-4-3-6-12(15)16/h3-4,6,8,10,13H,2,5,7,9H2,1H3/t13-/m1/s1.
What are the key properties of 3-ethyl-5-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole?
3-ethyl-5-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 324.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 92894196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).