5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide

C13H13N3O4S — CID 168719208

IUPAC5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2cc(-c3ccccc3)no2)C1
InChIInChI=1S/C13H13N3O4S/c14-21(18,19)10-6-12(17)16(8-10)13-7-11(15-20-13)9-4-2-1-3-5-9/h1-5,7,10H,6,8H2,(H2,14,18,19)
InChIKeyDXIQGTXTTYWURF-UHFFFAOYSA-N
MW307.33 g/mol
LogP0.74
Rot. Bonds3

About 5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide

5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide (PubChem CID 168719208) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide
PubChem CID168719208
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2cc(-c3ccccc3)no2)C1
InChIInChI=1S/C13H13N3O4S/c14-21(18,19)10-6-12(17)16(8-10)13-7-11(15-20-13)9-4-2-1-3-5-9/h1-5,7,10H,6,8H2,(H2,14,18,19)
InChIKeyDXIQGTXTTYWURF-UHFFFAOYSA-N
XLogP0.74
TPSA106.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 50.74
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
1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715871
1-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168716862
1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714172
5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-sulfonamide
CID 168719509
4-(bromomethyl)-1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168505960
5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide
CID 168719616
1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168718021
4-ethynyl-1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168501130
4-(chloromethyl)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168509278
4-(aminomethyl)-1-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168659597
5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide
CID 168719634

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide?
The IUPAC name of 5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide (CID 168719208) is 5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for 5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide?
The canonical SMILES for 5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2cc(-c3ccccc3)no2)C1.
What is the InChIKey of 5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide?
The InChIKey is DXIQGTXTTYWURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c14-21(18,19)10-6-12(17)16(8-10)13-7-11(15-20-13)9-4-2-1-3-5-9/h1-5,7,10H,6,8H2,(H2,14,18,19).
What are the key properties of 5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide?
5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide has a molecular weight of 307.33 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).