[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] methanesulfonate

C13H13N3O6S — CID 151574030

IUPAC[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] methanesulfonate
SMILESCc1nc(-c2ccc(N3CC(OS(C)(=O)=O)OC3=O)cc2)no1
InChIInChI=1S/C13H13N3O6S/c1-8-14-12(15-21-8)9-3-5-10(6-4-9)16-7-11(20-13(16)17)22-23(2,18)19/h3-6,11H,7H2,1-2H3
InChIKeyQFBCOACBHNMNAP-UHFFFAOYSA-N
MW339.33 g/mol
LogP1.30
Rot. Bonds4

About [3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] methanesulfonate

[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] methanesulfonate (PubChem CID 151574030) has the molecular formula C13H13N3O6S and a molecular weight of 339.33 g/mol. Its IUPAC name is [3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] methanesulfonate.

Molecular Properties

Compound Name[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] methanesulfonate
PubChem CID151574030
Molecular FormulaC13H13N3O6S
Molecular Weight339.33 g/mol
Exact Mass339.05
IUPAC Name[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] methanesulfonate
SMILESCc1nc(-c2ccc(N3CC(OS(C)(=O)=O)OC3=O)cc2)no1
InChIInChI=1S/C13H13N3O6S/c1-8-14-12(15-21-8)9-3-5-10(6-4-9)16-7-11(20-13(16)17)22-23(2,18)19/h3-6,11H,7H2,1-2H3
InChIKeyQFBCOACBHNMNAP-UHFFFAOYSA-N
XLogP1.30
TPSA111.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] hydrogen carbonate
CID 70098731
5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 57250790
N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide
CID 54541927
N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylethenesulfonamide
CID 70072551
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
CID 54156009
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzenesulfonyl chloride
CID 158204711
N-[4-[methyl-[2-[methyl-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]sulfamoyl]phenyl]acetamide
CID 54452960
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 54531284
dibenzyl 2-[4-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanedioate
CID 70050476
4-bromo-2-ethylbenzenesulfonyl chloride;5-[[4-(4-bromo-2-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 159182329
5-chloro-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-nitrocyclohexa-1,3-diene-1-sulfonamide
CID 139910192
3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one
CID 57296286

Frequently Asked Questions

What is the IUPAC name of [3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] methanesulfonate?
The IUPAC name of [3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] methanesulfonate (CID 151574030) is [3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] methanesulfonate.
What is the SMILES notation for [3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] methanesulfonate?
The canonical SMILES for [3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] methanesulfonate is Cc1nc(-c2ccc(N3CC(OS(C)(=O)=O)OC3=O)cc2)no1.
What is the InChIKey of [3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] methanesulfonate?
The InChIKey is QFBCOACBHNMNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O6S/c1-8-14-12(15-21-8)9-3-5-10(6-4-9)16-7-11(20-13(16)17)22-23(2,18)19/h3-6,11H,7H2,1-2H3.
What are the key properties of [3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] methanesulfonate?
[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] methanesulfonate has a molecular weight of 339.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] methanesulfonate is sourced from PubChem (CID 151574030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).