[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine

C12H15N3O2 — CID 60879242

IUPAC[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
SMILESCCc1noc(COc2cccc(CN)c2)n1
InChIInChI=1S/C12H15N3O2/c1-2-11-14-12(17-15-11)8-16-10-5-3-4-9(6-10)7-13/h3-6H,2,7-8,13H2,1H3
InChIKeyVYLWWOUDLYPBQD-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.67
Rot. Bonds5

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

[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine (PubChem CID 60879242) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
PubChem CID60879242
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
SMILESCCc1noc(COc2cccc(CN)c2)n1
InChIInChI=1S/C12H15N3O2/c1-2-11-14-12(17-15-11)8-16-10-5-3-4-9(6-10)7-13/h3-6H,2,7-8,13H2,1H3
InChIKeyVYLWWOUDLYPBQD-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine 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

[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 28782950
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenol
CID 43143517
(1R)-1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 55189536
N-methyl-1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 61495346
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenol
CID 61497436
1-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 54961430
N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 61495423
(1R)-1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2-fluorophenyl]ethanamine
CID 107718366
1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2-fluorophenyl]ethanamine
CID 107716111
[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanamine
CID 66354741
N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 61495422
2-[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid
CID 61495355

Frequently Asked Questions

What is the IUPAC name of [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine (CID 60879242) is [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine is CCc1noc(COc2cccc(CN)c2)n1.
What is the InChIKey of [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine?
The InChIKey is VYLWWOUDLYPBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-11-14-12(17-15-11)8-16-10-5-3-4-9(6-10)7-13/h3-6H,2,7-8,13H2,1H3.
What are the key properties of [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine?
[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine has a molecular weight of 233.27 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 60879242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).