5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid

C11H8N2O4 — CID 112619620

IUPAC5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(-c2ccc3c(c2)CCO3)o1
InChIInChI=1S/C11H8N2O4/c14-11(15)10-13-12-9(17-10)7-1-2-8-6(5-7)3-4-16-8/h1-2,5H,3-4H2,(H,14,15)
InChIKeyMASUSYSAQGXCHA-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.37
Rot. Bonds2

About 5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid

5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid (PubChem CID 112619620) has the molecular formula C11H8N2O4 and a molecular weight of 232.19 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid
PubChem CID112619620
Molecular FormulaC11H8N2O4
Molecular Weight232.19 g/mol
Exact Mass232.05
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(-c2ccc3c(c2)CCO3)o1
InChIInChI=1S/C11H8N2O4/c14-11(15)10-13-12-9(17-10)7-1-2-8-6(5-7)3-4-16-8/h1-2,5H,3-4H2,(H,14,15)
InChIKeyMASUSYSAQGXCHA-UHFFFAOYSA-N
XLogP1.37
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 4133179
5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 114032365
(E)-but-2-enedioic acid;2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole
CID 159200629
2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938226
2-(2-chloroethyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole
CID 62199935
5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid
CID 54974551
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylic acid
CID 71700391
5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 69195393
5-(2,3-dihydro-1-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid
CID 79997151
2-chloro-5-(3,4-dihydro-2H-chromen-6-yl)benzoic acid
CID 61026274
2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 68663686

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid (CID 112619620) is 5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid is O=C(O)c1nnc(-c2ccc3c(c2)CCO3)o1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid?
The InChIKey is MASUSYSAQGXCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c14-11(15)10-13-12-9(17-10)7-1-2-8-6(5-7)3-4-16-8/h1-2,5H,3-4H2,(H,14,15).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid?
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid has a molecular weight of 232.19 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid is sourced from PubChem (CID 112619620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).