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

C16H18ClFN2O3S — CID 92877887

IUPAC5-[(2R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)on1
InChIInChI=1S/C16H18ClFN2O3S/c1-10(2)14-9-16(23-19-14)15-4-3-7-20(15)24(21,22)11-5-6-13(18)12(17)8-11/h5-6,8-10,15H,3-4,7H2,1-2H3/t15-/m1/s1
InChIKeyLAYJKZRFJXNCLM-OAHLLOKOSA-N
MW372.85 g/mol
LogP4.12
Rot. Bonds4

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

5-[(2R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole (PubChem CID 92877887) has the molecular formula C16H18ClFN2O3S and a molecular weight of 372.85 g/mol. Its IUPAC name is 5-[(2R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[(2R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
PubChem CID92877887
Molecular FormulaC16H18ClFN2O3S
Molecular Weight372.85 g/mol
Exact Mass372.07
IUPAC Name5-[(2R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)on1
InChIInChI=1S/C16H18ClFN2O3S/c1-10(2)14-9-16(23-19-14)15-4-3-7-20(15)24(21,22)11-5-6-13(18)12(17)8-11/h5-6,8-10,15H,3-4,7H2,1-2H3/t15-/m1/s1
InChIKeyLAYJKZRFJXNCLM-OAHLLOKOSA-N
XLogP4.12
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 92877902
N-[4-[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 92894125
5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 46366393
3-propan-2-yl-5-[(2R)-1-(2,4,5-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92877907
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079926
(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079928
3-ethyl-5-[(2S)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92894173
5-[1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 46366395
(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-fluorophenyl)pyrrolidine
CID 51856127
3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92893927
(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 9190208
3-(4-chlorophenyl)-5-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95116737

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The IUPAC name of 5-[(2R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole (CID 92877887) is 5-[(2R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 5-[(2R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 5-[(2R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole is CC(C)c1cc([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)on1.
What is the InChIKey of 5-[(2R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The InChIKey is LAYJKZRFJXNCLM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18ClFN2O3S/c1-10(2)14-9-16(23-19-14)15-4-3-7-20(15)24(21,22)11-5-6-13(18)12(17)8-11/h5-6,8-10,15H,3-4,7H2,1-2H3/t15-/m1/s1.
What are the key properties of 5-[(2R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
5-[(2R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole has a molecular weight of 372.85 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 92877887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).