2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine

C12H15N3O2 — CID 61334308

IUPAC2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCOc1ccccc1Cc1nc(CCN)no1
InChIInChI=1S/C12H15N3O2/c1-16-10-5-3-2-4-9(10)8-12-14-11(6-7-13)15-17-12/h2-5H,6-8,13H2,1H3
InChIKeyXXEJAHGFSTWOSX-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.17
Rot. Bonds5

About 2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine

2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 61334308) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID61334308
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCOc1ccccc1Cc1nc(CCN)no1
InChIInChI=1S/C12H15N3O2/c1-16-10-5-3-2-4-9(10)8-12-14-11(6-7-13)15-17-12/h2-5H,6-8,13H2,1H3
InChIKeyXXEJAHGFSTWOSX-UHFFFAOYSA-N
XLogP1.17
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078940
2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336070
5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole
CID 54077737
1-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61324180
5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82847418
1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63350383
3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 62470170
3-(1-chloropropyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 103095530
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96662808
1-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634478
(2S)-2-amino-1-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol;hydrochloride
CID 67585921

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine (CID 61334308) is 2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine is COc1ccccc1Cc1nc(CCN)no1.
What is the InChIKey of 2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is XXEJAHGFSTWOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-16-10-5-3-2-4-9(10)8-12-14-11(6-7-13)15-17-12/h2-5H,6-8,13H2,1H3.
What are the key properties of 2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine?
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 233.27 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 61334308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).