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

C11H10N2O4 — CID 112619546

IUPAC5-(2-phenoxyethyl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(CCOc2ccccc2)o1
InChIInChI=1S/C11H10N2O4/c14-11(15)10-13-12-9(17-10)6-7-16-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
InChIKeyAWIKAQQJLOWNRF-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.39
Rot. Bonds5

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

5-(2-phenoxyethyl)-1,3,4-oxadiazole-2-carboxylic acid (PubChem CID 112619546) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-(2-phenoxyethyl)-1,3,4-oxadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-phenoxyethyl)-1,3,4-oxadiazole-2-carboxylic acid
PubChem CID112619546
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name5-(2-phenoxyethyl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(CCOc2ccccc2)o1
InChIInChI=1S/C11H10N2O4/c14-11(15)10-13-12-9(17-10)6-7-16-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
InChIKeyAWIKAQQJLOWNRF-UHFFFAOYSA-N
XLogP1.39
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenoxyethyl)-1,3,4-oxadiazole-2-carboxylic acid?
The IUPAC name of 5-(2-phenoxyethyl)-1,3,4-oxadiazole-2-carboxylic acid (CID 112619546) is 5-(2-phenoxyethyl)-1,3,4-oxadiazole-2-carboxylic acid.
What is the SMILES notation for 5-(2-phenoxyethyl)-1,3,4-oxadiazole-2-carboxylic acid?
The canonical SMILES for 5-(2-phenoxyethyl)-1,3,4-oxadiazole-2-carboxylic acid is O=C(O)c1nnc(CCOc2ccccc2)o1.
What is the InChIKey of 5-(2-phenoxyethyl)-1,3,4-oxadiazole-2-carboxylic acid?
The InChIKey is AWIKAQQJLOWNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c14-11(15)10-13-12-9(17-10)6-7-16-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15).
What are the key properties of 5-(2-phenoxyethyl)-1,3,4-oxadiazole-2-carboxylic acid?
5-(2-phenoxyethyl)-1,3,4-oxadiazole-2-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenoxyethyl)-1,3,4-oxadiazole-2-carboxylic acid is sourced from PubChem (CID 112619546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).