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

C20H28N2O3S — CID 92877902

IUPAC5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)on1
InChIInChI=1S/C20H28N2O3S/c1-14(2)17-13-19(25-21-17)18-7-6-12-22(18)26(23,24)16-10-8-15(9-11-16)20(3,4)5/h8-11,13-14,18H,6-7,12H2,1-5H3/t18-/m0/s1
InChIKeyZGQBPVBKJHKKSE-SFHVURJKSA-N
MW376.52 g/mol
LogP4.62
Rot. Bonds4

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

5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole (PubChem CID 92877902) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is 5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
PubChem CID92877902
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC Name5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)on1
InChIInChI=1S/C20H28N2O3S/c1-14(2)17-13-19(25-21-17)18-7-6-12-22(18)26(23,24)16-10-8-15(9-11-16)20(3,4)5/h8-11,13-14,18H,6-7,12H2,1-5H3/t18-/m0/s1
InChIKeyZGQBPVBKJHKKSE-SFHVURJKSA-N
XLogP4.62
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 92894205
N-[4-[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 92894125
5-[(2R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 92877887
3-propan-2-yl-5-[(2R)-1-(2,4,5-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92877907
5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 46366393
3-ethyl-5-[(2S)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92894173
(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
CID 51856123
3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92893927
5-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 50809291
5-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 92894119
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

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The IUPAC name of 5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole (CID 92877902) is 5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole is CC(C)c1cc([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-propan-2-yl-1,2-oxazole?
The InChIKey is ZGQBPVBKJHKKSE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-14(2)17-13-19(25-21-17)18-7-6-12-22(18)26(23,24)16-10-8-15(9-11-16)20(3,4)5/h8-11,13-14,18H,6-7,12H2,1-5H3/t18-/m0/s1.
What are the key properties of 5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole has a molecular weight of 376.52 g/mol, XLogP of 4.62, 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-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 92877902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).