5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole

C19H26N2O3S — CID 92894205

IUPAC5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole
SMILESCCc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)on1
InChIInChI=1S/C19H26N2O3S/c1-5-15-13-18(24-20-15)17-7-6-12-21(17)25(22,23)16-10-8-14(9-11-16)19(2,3)4/h8-11,13,17H,5-7,12H2,1-4H3/t17-/m0/s1
InChIKeyHGZIKVDSHIXBMS-KRWDZBQOSA-N
MW362.50 g/mol
LogP4.06
Rot. Bonds4

About 5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole

5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole (PubChem CID 92894205) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole
PubChem CID92894205
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole
SMILESCCc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)on1
InChIInChI=1S/C19H26N2O3S/c1-5-15-13-18(24-20-15)17-7-6-12-21(17)25(22,23)16-10-8-14(9-11-16)19(2,3)4/h8-11,13,17H,5-7,12H2,1-4H3/t17-/m0/s1
InChIKeyHGZIKVDSHIXBMS-KRWDZBQOSA-N
XLogP4.06
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.06
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
3-ethyl-5-[(2S)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92894173
5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 92877902
5-[1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 46366395
3-ethyl-5-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92894196
3-ethyl-5-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92894114
4-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 92894200
5-[(2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 92894142
ethyl 5-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate
CID 92877908
5-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 50809291
(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
CID 51856123
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 5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole?
The IUPAC name of 5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole (CID 92894205) is 5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole.
What is the SMILES notation for 5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole?
The canonical SMILES for 5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole is CCc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)on1.
What is the InChIKey of 5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole?
The InChIKey is HGZIKVDSHIXBMS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-5-15-13-18(24-20-15)17-7-6-12-21(17)25(22,23)16-10-8-14(9-11-16)19(2,3)4/h8-11,13,17H,5-7,12H2,1-4H3/t17-/m0/s1.
What are the key properties of 5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole?
5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole has a molecular weight of 362.50 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole is sourced from PubChem (CID 92894205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).