4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoylmethyl]benzoic acid

C13H14N2O5S — CID 106370360

IUPAC4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoylmethyl]benzoic acid
SMILESCc1cnc(CNS(=O)(=O)Cc2ccc(C(=O)O)cc2)o1
InChIInChI=1S/C13H14N2O5S/c1-9-6-14-12(20-9)7-15-21(18,19)8-10-2-4-11(5-3-10)13(16)17/h2-6,15H,7-8H2,1H3,(H,16,17)
InChIKeyRINKJOUHKWMUOY-UHFFFAOYSA-N
MW310.33 g/mol
LogP1.30
Rot. Bonds6

About 4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoylmethyl]benzoic acid

4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoylmethyl]benzoic acid (PubChem CID 106370360) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoylmethyl]benzoic acid.

Molecular Properties

Compound Name4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoylmethyl]benzoic acid
PubChem CID106370360
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoylmethyl]benzoic acid
SMILESCc1cnc(CNS(=O)(=O)Cc2ccc(C(=O)O)cc2)o1
InChIInChI=1S/C13H14N2O5S/c1-9-6-14-12(20-9)7-15-21(18,19)8-10-2-4-11(5-3-10)13(16)17/h2-6,15H,7-8H2,1H3,(H,16,17)
InChIKeyRINKJOUHKWMUOY-UHFFFAOYSA-N
XLogP1.30
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoylmethyl]benzenecarbothioamide
CID 106372384
4-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide
CID 106377917
4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 110660491
N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
CID 110660417
2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid
CID 106370356
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoylmethyl]benzoic acid
CID 43362452
1-(2-cyanophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
CID 103830213
N-[(5-methyl-1,3-oxazol-2-yl)methyl]butane-1-sulfonamide
CID 110660420
5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 106375912
4-[(2-ethyltriazol-4-yl)methylsulfamoylmethyl]benzoic acid
CID 167840333
4-[(2-ethyl-2-hydroxybutyl)sulfamoylmethyl]benzoic acid
CID 65105756
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanesulfonamide
CID 167778750

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoylmethyl]benzoic acid?
The IUPAC name of 4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoylmethyl]benzoic acid (CID 106370360) is 4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoylmethyl]benzoic acid.
What is the SMILES notation for 4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoylmethyl]benzoic acid?
The canonical SMILES for 4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoylmethyl]benzoic acid is Cc1cnc(CNS(=O)(=O)Cc2ccc(C(=O)O)cc2)o1.
What is the InChIKey of 4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoylmethyl]benzoic acid?
The InChIKey is RINKJOUHKWMUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-9-6-14-12(20-9)7-15-21(18,19)8-10-2-4-11(5-3-10)13(16)17/h2-6,15H,7-8H2,1H3,(H,16,17).
What are the key properties of 4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoylmethyl]benzoic acid?
4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoylmethyl]benzoic acid has a molecular weight of 310.33 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoylmethyl]benzoic acid is sourced from PubChem (CID 106370360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).