ethyl 5-(aminomethyl)-1,2,4-oxadiazole-3-carboxylate;hydrochloride

C6H10ClN3O3 — CID 69063355

IUPACethyl 5-(aminomethyl)-1,2,4-oxadiazole-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1noc(CN)n1.Cl
InChIInChI=1S/C6H9N3O3.ClH/c1-2-11-6(10)5-8-4(3-7)12-9-5;/h2-3,7H2,1H3;1H
InChIKeyIMUSLNMUIIQUFO-UHFFFAOYSA-N
MW207.62 g/mol
LogP0.13
Rot. Bonds3

About ethyl 5-(aminomethyl)-1,2,4-oxadiazole-3-carboxylate;hydrochloride

ethyl 5-(aminomethyl)-1,2,4-oxadiazole-3-carboxylate;hydrochloride (PubChem CID 69063355) has the molecular formula C6H10ClN3O3 and a molecular weight of 207.62 g/mol. Its IUPAC name is ethyl 5-(aminomethyl)-1,2,4-oxadiazole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-(aminomethyl)-1,2,4-oxadiazole-3-carboxylate;hydrochloride
PubChem CID69063355
Molecular FormulaC6H10ClN3O3
Molecular Weight207.62 g/mol
Exact Mass207.04
IUPAC Nameethyl 5-(aminomethyl)-1,2,4-oxadiazole-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1noc(CN)n1.Cl
InChIInChI=1S/C6H9N3O3.ClH/c1-2-11-6(10)5-8-4(3-7)12-9-5;/h2-3,7H2,1H3;1H
InChIKeyIMUSLNMUIIQUFO-UHFFFAOYSA-N
XLogP0.13
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.62
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(aminomethyl)-1,2,4-oxadiazole-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-(aminomethyl)-1,2,4-oxadiazole-3-carboxylate;hydrochloride (CID 69063355) is ethyl 5-(aminomethyl)-1,2,4-oxadiazole-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-(aminomethyl)-1,2,4-oxadiazole-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-(aminomethyl)-1,2,4-oxadiazole-3-carboxylate;hydrochloride is CCOC(=O)c1noc(CN)n1.Cl.
What is the InChIKey of ethyl 5-(aminomethyl)-1,2,4-oxadiazole-3-carboxylate;hydrochloride?
The InChIKey is IMUSLNMUIIQUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3.ClH/c1-2-11-6(10)5-8-4(3-7)12-9-5;/h2-3,7H2,1H3;1H.
What are the key properties of ethyl 5-(aminomethyl)-1,2,4-oxadiazole-3-carboxylate;hydrochloride?
ethyl 5-(aminomethyl)-1,2,4-oxadiazole-3-carboxylate;hydrochloride has a molecular weight of 207.62 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(aminomethyl)-1,2,4-oxadiazole-3-carboxylate;hydrochloride is sourced from PubChem (CID 69063355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).