2-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine

C11H13N3O2 — CID 60905651

IUPAC2-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
SMILESNCCc1ccccc1OCc1ncon1
InChIInChI=1S/C11H13N3O2/c12-6-5-9-3-1-2-4-10(9)15-7-11-13-8-16-14-11/h1-4,8H,5-7,12H2
InChIKeyWYJYEAOFYIICOB-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.15
Rot. Bonds5

About 2-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine

2-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine (PubChem CID 60905651) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
PubChem CID60905651
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
SMILESNCCc1ccccc1OCc1ncon1
InChIInChI=1S/C11H13N3O2/c12-6-5-9-3-1-2-4-10(9)15-7-11-13-8-16-14-11/h1-4,8H,5-7,12H2
InChIKeyWYJYEAOFYIICOB-UHFFFAOYSA-N
XLogP1.15
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 55201494
1-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 60879008
[3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methanamine
CID 107686259
2-[2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine
CID 60905172
2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
CID 107700331
2-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112651124
1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 60883508
1-(2-ethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392785
2-(2-butoxyphenyl)ethanamine;hydrochloride
CID 3045706
2-[2-[(2-methoxyphenoxy)methyl]phenyl]ethanamine
CID 115464876
2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 22680049
2-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 62126855

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine (CID 60905651) is 2-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine is NCCc1ccccc1OCc1ncon1.
What is the InChIKey of 2-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine?
The InChIKey is WYJYEAOFYIICOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-6-5-9-3-1-2-4-10(9)15-7-11-13-8-16-14-11/h1-4,8H,5-7,12H2.
What are the key properties of 2-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine?
2-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine has a molecular weight of 219.24 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 60905651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).