[1-(4-cyano-3-methyl-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C10H10FN3O4S — CID 168676283

IUPAC[1-(4-cyano-3-methyl-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCc1noc(N2CC(CS(=O)(=O)F)CC2=O)c1C#N
InChIInChI=1S/C10H10FN3O4S/c1-6-8(3-12)10(18-13-6)14-4-7(2-9(14)15)5-19(11,16)17/h7H,2,4-5H2,1H3
InChIKeyVRPLQDVVMXPBDN-UHFFFAOYSA-N
MW287.27 g/mol
LogP0.51
Rot. Bonds3

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

[1-(4-cyano-3-methyl-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676283) has the molecular formula C10H10FN3O4S and a molecular weight of 287.27 g/mol. Its IUPAC name is [1-(4-cyano-3-methyl-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(4-cyano-3-methyl-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676283
Molecular FormulaC10H10FN3O4S
Molecular Weight287.27 g/mol
Exact Mass287.04
IUPAC Name[1-(4-cyano-3-methyl-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCc1noc(N2CC(CS(=O)(=O)F)CC2=O)c1C#N
InChIInChI=1S/C10H10FN3O4S/c1-6-8(3-12)10(18-13-6)14-4-7(2-9(14)15)5-19(11,16)17/h7H,2,4-5H2,1H3
InChIKeyVRPLQDVVMXPBDN-UHFFFAOYSA-N
XLogP0.51
TPSA104.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(4-cyano-3-methyl-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(4-cyano-3-methyl-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(4-cyano-3-methyl-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676283) is [1-(4-cyano-3-methyl-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(4-cyano-3-methyl-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(4-cyano-3-methyl-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is Cc1noc(N2CC(CS(=O)(=O)F)CC2=O)c1C#N.
What is the InChIKey of [1-(4-cyano-3-methyl-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is VRPLQDVVMXPBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O4S/c1-6-8(3-12)10(18-13-6)14-4-7(2-9(14)15)5-19(11,16)17/h7H,2,4-5H2,1H3.
What are the key properties of [1-(4-cyano-3-methyl-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(4-cyano-3-methyl-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 287.27 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyano-3-methyl-1,2-oxazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).