5-[2-(aminomethyl)cyclohexyl]-1,2,4-oxadiazole-3-carboxylic acid

C10H15N3O3 — CID 112631855

IUPAC5-[2-(aminomethyl)cyclohexyl]-1,2,4-oxadiazole-3-carboxylic acid
SMILESNCC1CCCCC1c1nc(C(=O)O)no1
InChIInChI=1S/C10H15N3O3/c11-5-6-3-1-2-4-7(6)9-12-8(10(14)15)13-16-9/h6-7H,1-5,11H2,(H,14,15)
InChIKeyKFEFLLODUNXXOP-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.00
Rot. Bonds3

About 5-[2-(aminomethyl)cyclohexyl]-1,2,4-oxadiazole-3-carboxylic acid

5-[2-(aminomethyl)cyclohexyl]-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 112631855) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-[2-(aminomethyl)cyclohexyl]-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(aminomethyl)cyclohexyl]-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID112631855
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-[2-(aminomethyl)cyclohexyl]-1,2,4-oxadiazole-3-carboxylic acid
SMILESNCC1CCCCC1c1nc(C(=O)O)no1
InChIInChI=1S/C10H15N3O3/c11-5-6-3-1-2-4-7(6)9-12-8(10(14)15)13-16-9/h6-7H,1-5,11H2,(H,14,15)
InChIKeyKFEFLLODUNXXOP-UHFFFAOYSA-N
XLogP1.00
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)cyclohexyl]-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-[2-(aminomethyl)cyclohexyl]-1,2,4-oxadiazole-3-carboxylic acid (CID 112631855) is 5-[2-(aminomethyl)cyclohexyl]-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-(aminomethyl)cyclohexyl]-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-[2-(aminomethyl)cyclohexyl]-1,2,4-oxadiazole-3-carboxylic acid is NCC1CCCCC1c1nc(C(=O)O)no1.
What is the InChIKey of 5-[2-(aminomethyl)cyclohexyl]-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is KFEFLLODUNXXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c11-5-6-3-1-2-4-7(6)9-12-8(10(14)15)13-16-9/h6-7H,1-5,11H2,(H,14,15).
What are the key properties of 5-[2-(aminomethyl)cyclohexyl]-1,2,4-oxadiazole-3-carboxylic acid?
5-[2-(aminomethyl)cyclohexyl]-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)cyclohexyl]-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 112631855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).