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

C6H9ClN2O3 — CID 138040212

IUPACmethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(CN)on1.Cl
InChIInChI=1S/C6H8N2O3.ClH/c1-10-6(9)5-2-4(3-7)11-8-5;/h2H,3,7H2,1H3;1H
InChIKeyXZGDHMWNRLUIGM-UHFFFAOYSA-N
MW192.60 g/mol
LogP0.34
Rot. Bonds2

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

methyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride (PubChem CID 138040212) has the molecular formula C6H9ClN2O3 and a molecular weight of 192.60 g/mol. Its IUPAC name is methyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride
PubChem CID138040212
Molecular FormulaC6H9ClN2O3
Molecular Weight192.60 g/mol
Exact Mass192.03
IUPAC Namemethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(CN)on1.Cl
InChIInChI=1S/C6H8N2O3.ClH/c1-10-6(9)5-2-4(3-7)11-8-5;/h2H,3,7H2,1H3;1H
InChIKeyXZGDHMWNRLUIGM-UHFFFAOYSA-N
XLogP0.34
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.60
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride?
The IUPAC name of methyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride (CID 138040212) is methyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride is COC(=O)c1cc(CN)on1.Cl.
What is the InChIKey of methyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride?
The InChIKey is XZGDHMWNRLUIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3.ClH/c1-10-6(9)5-2-4(3-7)11-8-5;/h2H,3,7H2,1H3;1H.
What are the key properties of methyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride?
methyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride has a molecular weight of 192.60 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate;hydrochloride is sourced from PubChem (CID 138040212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).