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

C9H12N2O3 — CID 63382576

IUPAC5-(cyclopentylmethyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(CC2CCCC2)n1
InChIInChI=1S/C9H12N2O3/c12-9(13)8-10-7(14-11-8)5-6-3-1-2-4-6/h6H,1-5H2,(H,12,13)
InChIKeyLERRHWKEYZHKCR-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.50
Rot. Bonds3

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

5-(cyclopentylmethyl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 63382576) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID63382576
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name5-(cyclopentylmethyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(CC2CCCC2)n1
InChIInChI=1S/C9H12N2O3/c12-9(13)8-10-7(14-11-8)5-6-3-1-2-4-6/h6H,1-5H2,(H,12,13)
InChIKeyLERRHWKEYZHKCR-UHFFFAOYSA-N
XLogP1.50
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(cyclopentylmethyl)-1,2,4-oxadiazole-3-carboxylic acid (CID 63382576) is 5-(cyclopentylmethyl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(cyclopentylmethyl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(cyclopentylmethyl)-1,2,4-oxadiazole-3-carboxylic acid is O=C(O)c1noc(CC2CCCC2)n1.
What is the InChIKey of 5-(cyclopentylmethyl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is LERRHWKEYZHKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-9(13)8-10-7(14-11-8)5-6-3-1-2-4-6/h6H,1-5H2,(H,12,13).
What are the key properties of 5-(cyclopentylmethyl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(cyclopentylmethyl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 63382576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).