[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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Related Compounds

[2-(aminomethyl)-4-methyl-1,3-oxazol-5-yl]methanamine
CID 68802787
(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanamine;hydrochloride
CID 119031976
5-(aminomethyl)-4-methyl-1,3-oxazole-2-carboxylic acid
CID 115012127
(4-methyl-2-pyridin-4-yl-1,3-oxazol-5-yl)methanamine
CID 82504549
(5-bromo-4-methyl-1,3-oxazol-2-yl)methanamine
CID 130116175
[4-methyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-5-yl]methanamine
CID 130856930
2-(5-ethyl-4-methyl-1,3-oxazol-2-yl)acetonitrile
CID 82417474
5-(aminomethyl)-N-benzyl-4-methyl-1,3-oxazole-2-carboxamide
CID 68802211
5-(aminomethyl)-N-benzyl-N,4-dimethyl-1,3-oxazole-2-carboxamide
CID 68805700
5-(chloromethyl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole
CID 131081482
[5-(2-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]methanol
CID 105473690
ethyl 5-(hydroxymethyl)-1,3,4-oxadiazole-2-carboxylate
CID 131969481

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).