[1-(4-cyano-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C9H10N4O4S — CID 168682878

IUPAC[1-(4-cyano-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESN#Cc1cnoc1N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C9H10N4O4S/c10-2-7-3-12-17-9(7)13-4-6(1-8(13)14)5-18(11,15)16/h3,6H,1,4-5H2,(H2,11,15,16)
InChIKeyNFWDQBIUSQIRKR-UHFFFAOYSA-N
MW270.27 g/mol
LogP-0.81
Rot. Bonds3

About [1-(4-cyano-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(4-cyano-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168682878) has the molecular formula C9H10N4O4S and a molecular weight of 270.27 g/mol. Its IUPAC name is [1-(4-cyano-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(4-cyano-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168682878
Molecular FormulaC9H10N4O4S
Molecular Weight270.27 g/mol
Exact Mass270.04
IUPAC Name[1-(4-cyano-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESN#Cc1cnoc1N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C9H10N4O4S/c10-2-7-3-12-17-9(7)13-4-6(1-8(13)14)5-18(11,15)16/h3,6H,1,4-5H2,(H2,11,15,16)
InChIKeyNFWDQBIUSQIRKR-UHFFFAOYSA-N
XLogP-0.81
TPSA130.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazole-4-carbonitrile
CID 168505881
5-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile
CID 168710285
[1-(5-cyano-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681535
[1-(2-cyano-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681429
[1-(2-cyano-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682694
[1-(4-cyano-2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682303
[1-(2-cyano-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681150
[1-(2-cyano-4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681142
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
[1-(2-cyanocyclopenten-1-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681812
[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683120
[1-(4-amino-6-bromo-5-cyano-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682382

Frequently Asked Questions

What is the IUPAC name of [1-(4-cyano-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(4-cyano-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168682878) is [1-(4-cyano-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(4-cyano-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(4-cyano-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is N#Cc1cnoc1N1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of [1-(4-cyano-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is NFWDQBIUSQIRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4S/c10-2-7-3-12-17-9(7)13-4-6(1-8(13)14)5-18(11,15)16/h3,6H,1,4-5H2,(H2,11,15,16).
What are the key properties of [1-(4-cyano-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(4-cyano-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 270.27 g/mol, XLogP of -0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyano-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168682878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).