5-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid

C11H10N2O4 — CID 82663419

IUPAC5-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCOc1cc(C)ccc1-c1nc(C(=O)O)no1
InChIInChI=1S/C11H10N2O4/c1-6-3-4-7(8(5-6)16-2)10-12-9(11(14)15)13-17-10/h3-5H,1-2H3,(H,14,15)
InChIKeyANALPUPQHZGRQL-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.75
Rot. Bonds3

About 5-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid

5-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 82663419) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID82663419
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name5-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCOc1cc(C)ccc1-c1nc(C(=O)O)no1
InChIInChI=1S/C11H10N2O4/c1-6-3-4-7(8(5-6)16-2)10-12-9(11(14)15)13-17-10/h3-5H,1-2H3,(H,14,15)
InChIKeyANALPUPQHZGRQL-UHFFFAOYSA-N
XLogP1.75
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid (CID 82663419) is 5-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid is COc1cc(C)ccc1-c1nc(C(=O)O)no1.
What is the InChIKey of 5-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is ANALPUPQHZGRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-6-3-4-7(8(5-6)16-2)10-12-9(11(14)15)13-17-10/h3-5H,1-2H3,(H,14,15).
What are the key properties of 5-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 82663419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).