[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

C11H14ClN3O3 — CID 51051991

IUPAC[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCOc1ccc(OCc2noc(CN)n2)cc1.Cl
InChIInChI=1S/C11H13N3O3.ClH/c1-15-8-2-4-9(5-3-8)16-7-10-13-11(6-12)17-14-10;/h2-5H,6-7,12H2,1H3;1H
InChIKeyWMVYYDUXQCYSMG-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.54
Rot. Bonds5

About [3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (PubChem CID 51051991) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is [3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
PubChem CID51051991
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCOc1ccc(OCc2noc(CN)n2)cc1.Cl
InChIInChI=1S/C11H13N3O3.ClH/c1-15-8-2-4-9(5-3-8)16-7-10-13-11(6-12)17-14-10;/h2-5H,6-7,12H2,1H3;1H
InChIKeyWMVYYDUXQCYSMG-UHFFFAOYSA-N
XLogP1.54
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (CID 51051991) is [3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is COc1ccc(OCc2noc(CN)n2)cc1.Cl.
What is the InChIKey of [3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The InChIKey is WMVYYDUXQCYSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3.ClH/c1-15-8-2-4-9(5-3-8)16-7-10-13-11(6-12)17-14-10;/h2-5H,6-7,12H2,1H3;1H.
What are the key properties of [3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride has a molecular weight of 271.70 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 51051991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).