5-[(1-methoxycyclobutyl)methyl]-1,3,4-oxadiazole-2-carboxylic acid

C9H12N2O4 — CID 103557488

IUPAC5-[(1-methoxycyclobutyl)methyl]-1,3,4-oxadiazole-2-carboxylic acid
SMILESCOC1(Cc2nnc(C(=O)O)o2)CCC1
InChIInChI=1S/C9H12N2O4/c1-14-9(3-2-4-9)5-6-10-11-7(15-6)8(12)13/h2-5H2,1H3,(H,12,13)
InChIKeyGEUYNTULBZRZPQ-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.88
Rot. Bonds4

About 5-[(1-methoxycyclobutyl)methyl]-1,3,4-oxadiazole-2-carboxylic acid

5-[(1-methoxycyclobutyl)methyl]-1,3,4-oxadiazole-2-carboxylic acid (PubChem CID 103557488) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 5-[(1-methoxycyclobutyl)methyl]-1,3,4-oxadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-methoxycyclobutyl)methyl]-1,3,4-oxadiazole-2-carboxylic acid
PubChem CID103557488
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name5-[(1-methoxycyclobutyl)methyl]-1,3,4-oxadiazole-2-carboxylic acid
SMILESCOC1(Cc2nnc(C(=O)O)o2)CCC1
InChIInChI=1S/C9H12N2O4/c1-14-9(3-2-4-9)5-6-10-11-7(15-6)8(12)13/h2-5H2,1H3,(H,12,13)
InChIKeyGEUYNTULBZRZPQ-UHFFFAOYSA-N
XLogP0.88
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methoxycyclobutyl)methyl]-1,3,4-oxadiazole-2-carboxylic acid?
The IUPAC name of 5-[(1-methoxycyclobutyl)methyl]-1,3,4-oxadiazole-2-carboxylic acid (CID 103557488) is 5-[(1-methoxycyclobutyl)methyl]-1,3,4-oxadiazole-2-carboxylic acid.
What is the SMILES notation for 5-[(1-methoxycyclobutyl)methyl]-1,3,4-oxadiazole-2-carboxylic acid?
The canonical SMILES for 5-[(1-methoxycyclobutyl)methyl]-1,3,4-oxadiazole-2-carboxylic acid is COC1(Cc2nnc(C(=O)O)o2)CCC1.
What is the InChIKey of 5-[(1-methoxycyclobutyl)methyl]-1,3,4-oxadiazole-2-carboxylic acid?
The InChIKey is GEUYNTULBZRZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-14-9(3-2-4-9)5-6-10-11-7(15-6)8(12)13/h2-5H2,1H3,(H,12,13).
What are the key properties of 5-[(1-methoxycyclobutyl)methyl]-1,3,4-oxadiazole-2-carboxylic acid?
5-[(1-methoxycyclobutyl)methyl]-1,3,4-oxadiazole-2-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methoxycyclobutyl)methyl]-1,3,4-oxadiazole-2-carboxylic acid is sourced from PubChem (CID 103557488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).