4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid

C11H16N2O4 — CID 66678014

IUPAC4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid
SMILESCOCc1nnc(C2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C11H16N2O4/c1-16-6-9-12-13-10(17-9)7-2-4-8(5-3-7)11(14)15/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyHIXMUZLKTGFOHI-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.57
Rot. Bonds4

About 4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid

4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid (PubChem CID 66678014) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid
PubChem CID66678014
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid
SMILESCOCc1nnc(C2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C11H16N2O4/c1-16-6-9-12-13-10(17-9)7-2-4-8(5-3-7)11(14)15/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyHIXMUZLKTGFOHI-UHFFFAOYSA-N
XLogP1.57
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid (CID 66678014) is 4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid is COCc1nnc(C2CCC(C(=O)O)CC2)o1.
What is the InChIKey of 4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid?
The InChIKey is HIXMUZLKTGFOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-16-6-9-12-13-10(17-9)7-2-4-8(5-3-7)11(14)15/h7-8H,2-6H2,1H3,(H,14,15).
What are the key properties of 4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid?
4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66678014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).