3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole

C16H19FN2O3S — CID 92893927

IUPAC3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)no1
InChIInChI=1S/C16H19FN2O3S/c1-11(2)16-10-14(18-22-16)15-4-3-9-19(15)23(20,21)13-7-5-12(17)6-8-13/h5-8,10-11,15H,3-4,9H2,1-2H3/t15-/m0/s1
InChIKeySEGRWWGXCKDOAI-HNNXBMFYSA-N
MW338.40 g/mol
LogP3.46
Rot. Bonds4

About 3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole

3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole (PubChem CID 92893927) has the molecular formula C16H19FN2O3S and a molecular weight of 338.40 g/mol. Its IUPAC name is 3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
PubChem CID92893927
Molecular FormulaC16H19FN2O3S
Molecular Weight338.40 g/mol
Exact Mass338.11
IUPAC Name3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)no1
InChIInChI=1S/C16H19FN2O3S/c1-11(2)16-10-14(18-22-16)15-4-3-9-19(15)23(20,21)13-7-5-12(17)6-8-13/h5-8,10-11,15H,3-4,9H2,1-2H3/t15-/m0/s1
InChIKeySEGRWWGXCKDOAI-HNNXBMFYSA-N
XLogP3.46
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92877769
3-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92893941
3-[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 47002052
3-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92894002
3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 50809457
3-[(2R)-1-(2-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92877793
1-[7-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 92893967
5-methyl-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 50809596
(4-fluorophenyl)-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731701
(2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 51856541
3-[(2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92502865
6-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole?
The IUPAC name of 3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole (CID 92893927) is 3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole?
The canonical SMILES for 3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole is CC(C)c1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)no1.
What is the InChIKey of 3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole?
The InChIKey is SEGRWWGXCKDOAI-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19FN2O3S/c1-11(2)16-10-14(18-22-16)15-4-3-9-19(15)23(20,21)13-7-5-12(17)6-8-13/h5-8,10-11,15H,3-4,9H2,1-2H3/t15-/m0/s1.
What are the key properties of 3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole?
3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole has a molecular weight of 338.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 92893927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).