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

C7H8N2O4 — CID 165484650

IUPAC5-(2-methoxycyclopropyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCOC1CC1c1nc(C(=O)O)no1
InChIInChI=1S/C7H8N2O4/c1-12-4-2-3(4)6-8-5(7(10)11)9-13-6/h3-4H,2H2,1H3,(H,10,11)
InChIKeyCDCIOXOFLKQSSU-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.27
Rot. Bonds3

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

5-(2-methoxycyclopropyl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 165484650) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 5-(2-methoxycyclopropyl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxycyclopropyl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID165484650
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name5-(2-methoxycyclopropyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCOC1CC1c1nc(C(=O)O)no1
InChIInChI=1S/C7H8N2O4/c1-12-4-2-3(4)6-8-5(7(10)11)9-13-6/h3-4H,2H2,1H3,(H,10,11)
InChIKeyCDCIOXOFLKQSSU-UHFFFAOYSA-N
XLogP0.27
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxycyclopropyl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(2-methoxycyclopropyl)-1,2,4-oxadiazole-3-carboxylic acid (CID 165484650) is 5-(2-methoxycyclopropyl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-methoxycyclopropyl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(2-methoxycyclopropyl)-1,2,4-oxadiazole-3-carboxylic acid is COC1CC1c1nc(C(=O)O)no1.
What is the InChIKey of 5-(2-methoxycyclopropyl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is CDCIOXOFLKQSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-12-4-2-3(4)6-8-5(7(10)11)9-13-6/h3-4H,2H2,1H3,(H,10,11).
What are the key properties of 5-(2-methoxycyclopropyl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(2-methoxycyclopropyl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 184.15 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxycyclopropyl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 165484650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).