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

C12H15N3O2 — CID 54931053

IUPAC2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
SMILESCc1nc(COc2ccc(CCN)cc2)no1
InChIInChI=1S/C12H15N3O2/c1-9-14-12(15-17-9)8-16-11-4-2-10(3-5-11)6-7-13/h2-5H,6-8,13H2,1H3
InChIKeyOWLGBPHSPQKUEV-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.46
Rot. Bonds5

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

2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine (PubChem CID 54931053) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
PubChem CID54931053
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
SMILESCc1nc(COc2ccc(CCN)cc2)no1
InChIInChI=1S/C12H15N3O2/c1-9-14-12(15-17-9)8-16-11-4-2-10(3-5-11)6-7-13/h2-5H,6-8,13H2,1H3
InChIKeyOWLGBPHSPQKUEV-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline
CID 50988182
N'-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912672
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 54931052
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butan-2-amine
CID 54930573
2-[3,5-dibromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 107739575
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine
CID 60877880
2-[6-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine
CID 79169644
3-pyridin-4-ylpropyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 55487562
2-[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 114321504
(6-chloro-3-pyridinyl)methyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 34133472
[3-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 63047206
2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 16775885

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine (CID 54931053) is 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine is Cc1nc(COc2ccc(CCN)cc2)no1.
What is the InChIKey of 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine?
The InChIKey is OWLGBPHSPQKUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9-14-12(15-17-9)8-16-11-4-2-10(3-5-11)6-7-13/h2-5H,6-8,13H2,1H3.
What are the key properties of 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine?
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine has a molecular weight of 233.27 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 54931053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).