2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-sulfamoylbenzoic acid

C11H11N3O6S — CID 82913263

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-sulfamoylbenzoic acid
SMILESCc1nc(COc2ccc(S(N)(=O)=O)cc2C(=O)O)no1
InChIInChI=1S/C11H11N3O6S/c1-6-13-10(14-20-6)5-19-9-3-2-7(21(12,17)18)4-8(9)11(15)16/h2-4H,5H2,1H3,(H,15,16)(H2,12,17,18)
InChIKeyWKRVAOKRXDRJOA-UHFFFAOYSA-N
MW313.29 g/mol
LogP0.30
Rot. Bonds5

About 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-sulfamoylbenzoic acid

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-sulfamoylbenzoic acid (PubChem CID 82913263) has the molecular formula C11H11N3O6S and a molecular weight of 313.29 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-sulfamoylbenzoic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-sulfamoylbenzoic acid
PubChem CID82913263
Molecular FormulaC11H11N3O6S
Molecular Weight313.29 g/mol
Exact Mass313.04
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-sulfamoylbenzoic acid
SMILESCc1nc(COc2ccc(S(N)(=O)=O)cc2C(=O)O)no1
InChIInChI=1S/C11H11N3O6S/c1-6-13-10(14-20-6)5-19-9-3-2-7(21(12,17)18)4-8(9)11(15)16/h2-4H,5H2,1H3,(H,15,16)(H2,12,17,18)
InChIKeyWKRVAOKRXDRJOA-UHFFFAOYSA-N
XLogP0.30
TPSA145.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
CID 61379514
2,3-dimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82922072
3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82912805
3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82910957
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid
CID 63320135
2-[(1-methyltriazol-4-yl)methoxy]-5-sulfamoylbenzoic acid
CID 107044349
2-hexoxy-5-sulfamoylbenzoic acid
CID 43322679
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]naphthalene-1-carboxylic acid
CID 43505628
2-(3-carboxypropoxy)-5-sulfamoylbenzoic acid
CID 43342335
[3-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 63047206
2-(3-amino-2-methyl-3-oxopropoxy)-5-sulfamoylbenzoic acid
CID 82921997
2-[3-(ethylamino)-3-oxopropoxy]-5-sulfamoylbenzoic acid
CID 82913282

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-sulfamoylbenzoic acid?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-sulfamoylbenzoic acid (CID 82913263) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-sulfamoylbenzoic acid.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-sulfamoylbenzoic acid?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-sulfamoylbenzoic acid is Cc1nc(COc2ccc(S(N)(=O)=O)cc2C(=O)O)no1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-sulfamoylbenzoic acid?
The InChIKey is WKRVAOKRXDRJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O6S/c1-6-13-10(14-20-6)5-19-9-3-2-7(21(12,17)18)4-8(9)11(15)16/h2-4H,5H2,1H3,(H,15,16)(H2,12,17,18).
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-sulfamoylbenzoic acid?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-sulfamoylbenzoic acid has a molecular weight of 313.29 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-sulfamoylbenzoic acid is sourced from PubChem (CID 82913263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).