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

C11H13N3O2 — CID 60879008

IUPAC1-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
SMILESCC(N)c1ccccc1OCc1ncon1
InChIInChI=1S/C11H13N3O2/c1-8(12)9-4-2-3-5-10(9)15-6-11-13-7-16-14-11/h2-5,7-8H,6,12H2,1H3
InChIKeyVMUYOXILSQLJBY-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.67
Rot. Bonds4

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

1-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine (PubChem CID 60879008) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
PubChem CID60879008
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
SMILESCC(N)c1ccccc1OCc1ncon1
InChIInChI=1S/C11H13N3O2/c1-8(12)9-4-2-3-5-10(9)15-6-11-13-7-16-14-11/h2-5,7-8H,6,12H2,1H3
InChIKeyVMUYOXILSQLJBY-UHFFFAOYSA-N
XLogP1.67
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 78936809
1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 62075077
1-[2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61497359
1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61495555
(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 30079943
2-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 60905651
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
1-(2-ethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106392807
(1S)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 78936718
4-(1,2,4-oxadiazol-3-ylmethoxy)-3-propan-2-ylbenzenesulfonamide
CID 82914595
(1R)-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973755
1-[2-[(4-bromophenyl)methoxy]phenyl]ethanamine
CID 60879192

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 1-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine (CID 60879008) is 1-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine is CC(N)c1ccccc1OCc1ncon1.
What is the InChIKey of 1-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine?
The InChIKey is VMUYOXILSQLJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8(12)9-4-2-3-5-10(9)15-6-11-13-7-16-14-11/h2-5,7-8H,6,12H2,1H3.
What are the key properties of 1-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine?
1-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine has a molecular weight of 219.24 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 60879008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).