4-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid

C11H10N2O3 — CID 129038073

IUPAC4-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
SMILESCc1nc(-c2cc(C(=O)O)ccc2C)no1
InChIInChI=1S/C11H10N2O3/c1-6-3-4-8(11(14)15)5-9(6)10-12-7(2)16-13-10/h3-5H,1-2H3,(H,14,15)
InChIKeyGCPMHERXSWQGBN-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.05
Rot. Bonds2

About 4-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid

4-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid (PubChem CID 129038073) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 4-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid.

Molecular Properties

Compound Name4-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
PubChem CID129038073
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name4-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
SMILESCc1nc(-c2cc(C(=O)O)ccc2C)no1
InChIInChI=1S/C11H10N2O3/c1-6-3-4-8(11(14)15)5-9(6)10-12-7(2)16-13-10/h3-5H,1-2H3,(H,14,15)
InChIKeyGCPMHERXSWQGBN-UHFFFAOYSA-N
XLogP2.05
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carboxylic acid
CID 71289011
2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 66976761
2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylic acid
CID 68554341
3-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzoic acid
CID 114186370
4-[2-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoic acid
CID 169094894
3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylbenzoic acid
CID 90022097
4-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid
CID 106394852
4-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]benzoic acid
CID 106402704
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanol
CID 159455674
1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 63344391
4-methyl-3-(1-methylpyrazol-3-yl)benzoic acid
CID 103131524
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid
CID 63320135

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid?
The IUPAC name of 4-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid (CID 129038073) is 4-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid.
What is the SMILES notation for 4-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid?
The canonical SMILES for 4-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid is Cc1nc(-c2cc(C(=O)O)ccc2C)no1.
What is the InChIKey of 4-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid?
The InChIKey is GCPMHERXSWQGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6-3-4-8(11(14)15)5-9(6)10-12-7(2)16-13-10/h3-5H,1-2H3,(H,14,15).
What are the key properties of 4-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid?
4-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid has a molecular weight of 218.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid is sourced from PubChem (CID 129038073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).