2-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine

C14H19N3O3 — CID 61324669

IUPAC2-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(C)(N)c1noc(-c2cc(OC)cc(OC)c2)n1
InChIInChI=1S/C14H19N3O3/c1-5-14(2,15)13-16-12(20-17-13)9-6-10(18-3)8-11(7-9)19-4/h6-8H,5,15H2,1-4H3
InChIKeySXODZDQHXLXADR-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.34
Rot. Bonds5

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

2-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (PubChem CID 61324669) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine.

Molecular Properties

Compound Name2-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
PubChem CID61324669
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(C)(N)c1noc(-c2cc(OC)cc(OC)c2)n1
InChIInChI=1S/C14H19N3O3/c1-5-14(2,15)13-16-12(20-17-13)9-6-10(18-3)8-11(7-9)19-4/h6-8H,5,15H2,1-4H3
InChIKeySXODZDQHXLXADR-UHFFFAOYSA-N
XLogP2.34
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The IUPAC name of 2-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (CID 61324669) is 2-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine.
What is the SMILES notation for 2-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The canonical SMILES for 2-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine is CCC(C)(N)c1noc(-c2cc(OC)cc(OC)c2)n1.
What is the InChIKey of 2-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The InChIKey is SXODZDQHXLXADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-5-14(2,15)13-16-12(20-17-13)9-6-10(18-3)8-11(7-9)19-4/h6-8H,5,15H2,1-4H3.
What are the key properties of 2-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
2-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine has a molecular weight of 277.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine is sourced from PubChem (CID 61324669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).