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

C7H11ClN2O3 — CID 66895506

IUPACethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cc(CN)on1.Cl
InChIInChI=1S/C7H10N2O3.ClH/c1-2-11-7(10)6-3-5(4-8)12-9-6;/h3H,2,4,8H2,1H3;1H
InChIKeyNJCWXJCDLIEWLI-UHFFFAOYSA-N
MW206.63 g/mol
LogP0.73
Rot. Bonds3

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

ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride (PubChem CID 66895506) has the molecular formula C7H11ClN2O3 and a molecular weight of 206.63 g/mol. Its IUPAC name is ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride
PubChem CID66895506
Molecular FormulaC7H11ClN2O3
Molecular Weight206.63 g/mol
Exact Mass206.05
IUPAC Nameethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cc(CN)on1.Cl
InChIInChI=1S/C7H10N2O3.ClH/c1-2-11-7(10)6-3-5(4-8)12-9-6;/h3H,2,4,8H2,1H3;1H
InChIKeyNJCWXJCDLIEWLI-UHFFFAOYSA-N
XLogP0.73
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride (CID 66895506) is ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride is CCOC(=O)c1cc(CN)on1.Cl.
What is the InChIKey of ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride?
The InChIKey is NJCWXJCDLIEWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3.ClH/c1-2-11-7(10)6-3-5(4-8)12-9-6;/h3H,2,4,8H2,1H3;1H.
What are the key properties of ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride?
ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride has a molecular weight of 206.63 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride is sourced from PubChem (CID 66895506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).