1-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-sulfonamide

C11H17N3O4S — CID 168716862

IUPAC1-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCC(C)(C)c1cc(N2CC(S(N)(=O)=O)CC2=O)on1
InChIInChI=1S/C11H17N3O4S/c1-11(2,3)8-5-10(18-13-8)14-6-7(4-9(14)15)19(12,16)17/h5,7H,4,6H2,1-3H3,(H2,12,16,17)
InChIKeyDOSLAPGTXRHWSN-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.37
Rot. Bonds2

About 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-sulfonamide

1-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168716862) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168716862
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name1-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCC(C)(C)c1cc(N2CC(S(N)(=O)=O)CC2=O)on1
InChIInChI=1S/C11H17N3O4S/c1-11(2,3)8-5-10(18-13-8)14-6-7(4-9(14)15)19(12,16)17/h5,7H,4,6H2,1-3H3,(H2,12,16,17)
InChIKeyDOSLAPGTXRHWSN-UHFFFAOYSA-N
XLogP0.37
TPSA106.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonamide
CID 168717692
5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide
CID 168719208
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717575
1-(4-hydroxy-2,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717885
1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717981
1-[5-methyl-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717866
1-(3-amino-2,4,6-trimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717612
1-(2-bromo-5-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717714
1-(2-chloro-6-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717979
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719537
1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717881

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-sulfonamide (CID 168716862) is 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-sulfonamide is CC(C)(C)c1cc(N2CC(S(N)(=O)=O)CC2=O)on1.
What is the InChIKey of 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is DOSLAPGTXRHWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-11(2,3)8-5-10(18-13-8)14-6-7(4-9(14)15)19(12,16)17/h5,7H,4,6H2,1-3H3,(H2,12,16,17).
What are the key properties of 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-sulfonamide?
1-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 287.34 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168716862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).