2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine

C15H21N3O2 — CID 116743922

IUPAC2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCOC(c1ccccc1)c1noc(C(C)(N)CC)n1
InChIInChI=1S/C15H21N3O2/c1-4-15(3,16)14-17-13(18-20-14)12(19-5-2)11-9-7-6-8-10-11/h6-10,12H,4-5,16H2,1-3H3
InChIKeyIJMRACHGXINHQI-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.78
Rot. Bonds6

About 2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine

2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 116743922) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID116743922
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCOC(c1ccccc1)c1noc(C(C)(N)CC)n1
InChIInChI=1S/C15H21N3O2/c1-4-15(3,16)14-17-13(18-20-14)12(19-5-2)11-9-7-6-8-10-11/h6-10,12H,4-5,16H2,1-3H3
InChIKeyIJMRACHGXINHQI-UHFFFAOYSA-N
XLogP2.78
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine 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-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66490998
(1S)-1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899946
2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116743682
3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine
CID 116778251
(1S)-3-amino-1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837365
N-ethyl-2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 116743752
1-cyclopropyl-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 116743716
cis-(1S,3R)-3-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323631
[1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 116743869
1-cyclopropyl-2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 116780574
3-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116743875
[2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine
CID 116778455

Frequently Asked Questions

What is the IUPAC name of 2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of 2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 116743922) is 2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for 2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for 2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine is CCOC(c1ccccc1)c1noc(C(C)(N)CC)n1.
What is the InChIKey of 2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is IJMRACHGXINHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-15(3,16)14-17-13(18-20-14)12(19-5-2)11-9-7-6-8-10-11/h6-10,12H,4-5,16H2,1-3H3.
What are the key properties of 2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine?
2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 275.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 116743922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).