[5-(aminomethyl)-4-methyl-1,3-oxazol-2-yl]methanol;hydrochloride

C6H11ClN2O2 — CID 68801817

IUPAC[5-(aminomethyl)-4-methyl-1,3-oxazol-2-yl]methanol;hydrochloride
SMILESCc1nc(CO)oc1CN.Cl
InChIInChI=1S/C6H10N2O2.ClH/c1-4-5(2-7)10-6(3-9)8-4;/h9H,2-3,7H2,1H3;1H
InChIKeyHRNIQSBUTJYSTM-UHFFFAOYSA-N
MW178.62 g/mol
LogP0.36
Rot. Bonds2

About [5-(aminomethyl)-4-methyl-1,3-oxazol-2-yl]methanol;hydrochloride

[5-(aminomethyl)-4-methyl-1,3-oxazol-2-yl]methanol;hydrochloride (PubChem CID 68801817) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is [5-(aminomethyl)-4-methyl-1,3-oxazol-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[5-(aminomethyl)-4-methyl-1,3-oxazol-2-yl]methanol;hydrochloride
PubChem CID68801817
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC Name[5-(aminomethyl)-4-methyl-1,3-oxazol-2-yl]methanol;hydrochloride
SMILESCc1nc(CO)oc1CN.Cl
InChIInChI=1S/C6H10N2O2.ClH/c1-4-5(2-7)10-6(3-9)8-4;/h9H,2-3,7H2,1H3;1H
InChIKeyHRNIQSBUTJYSTM-UHFFFAOYSA-N
XLogP0.36
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-4-methyl-1,3-oxazol-2-yl]methanol;hydrochloride?
The IUPAC name of [5-(aminomethyl)-4-methyl-1,3-oxazol-2-yl]methanol;hydrochloride (CID 68801817) is [5-(aminomethyl)-4-methyl-1,3-oxazol-2-yl]methanol;hydrochloride.
What is the SMILES notation for [5-(aminomethyl)-4-methyl-1,3-oxazol-2-yl]methanol;hydrochloride?
The canonical SMILES for [5-(aminomethyl)-4-methyl-1,3-oxazol-2-yl]methanol;hydrochloride is Cc1nc(CO)oc1CN.Cl.
What is the InChIKey of [5-(aminomethyl)-4-methyl-1,3-oxazol-2-yl]methanol;hydrochloride?
The InChIKey is HRNIQSBUTJYSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2.ClH/c1-4-5(2-7)10-6(3-9)8-4;/h9H,2-3,7H2,1H3;1H.
What are the key properties of [5-(aminomethyl)-4-methyl-1,3-oxazol-2-yl]methanol;hydrochloride?
[5-(aminomethyl)-4-methyl-1,3-oxazol-2-yl]methanol;hydrochloride has a molecular weight of 178.62 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-4-methyl-1,3-oxazol-2-yl]methanol;hydrochloride is sourced from PubChem (CID 68801817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).