3-ethyl-5-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole

C18H24N2O3S — CID 92894114

IUPAC3-ethyl-5-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
SMILESCCc1cc([C@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)on1
InChIInChI=1S/C18H24N2O3S/c1-5-15-11-17(23-19-15)16-7-6-8-20(16)24(21,22)18-13(3)9-12(2)10-14(18)4/h9-11,16H,5-8H2,1-4H3/t16-/m1/s1
InChIKeyDBZRAOCWWYSVOB-MRXNPFEDSA-N
MW348.47 g/mol
LogP3.69
Rot. Bonds4

About 3-ethyl-5-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole

3-ethyl-5-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole (PubChem CID 92894114) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-ethyl-5-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
PubChem CID92894114
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name3-ethyl-5-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
SMILESCCc1cc([C@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)on1
InChIInChI=1S/C18H24N2O3S/c1-5-15-11-17(23-19-15)16-7-6-8-20(16)24(21,22)18-13(3)9-12(2)10-14(18)4/h9-11,16H,5-8H2,1-4H3/t16-/m1/s1
InChIKeyDBZRAOCWWYSVOB-MRXNPFEDSA-N
XLogP3.69
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 92894200
5-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 92894119
3,5-dimethyl-4-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 46366323
5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 92894205
5-propyl-3-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92893936
3-ethyl-5-[(2S)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92894173
3-ethyl-5-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92894196
3-methyl-5-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 90564332
3-cyclopropyl-5-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 90564727
5-[1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 46366395
5-[(2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 92894142
1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 92731941

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-ethyl-5-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole (CID 92894114) is 3-ethyl-5-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole is CCc1cc([C@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)on1.
What is the InChIKey of 3-ethyl-5-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is DBZRAOCWWYSVOB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-5-15-11-17(23-19-15)16-7-6-8-20(16)24(21,22)18-13(3)9-12(2)10-14(18)4/h9-11,16H,5-8H2,1-4H3/t16-/m1/s1.
What are the key properties of 3-ethyl-5-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole?
3-ethyl-5-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 348.47 g/mol, XLogP of 3.69, 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-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 92894114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).