3-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylpropanamide

C19H19N3O4 — CID 155539878

IUPAC3-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCOc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C19H19N3O4/c1-22(2)17(24)11-12-25-16-9-5-13(6-10-16)18-20-19(26-21-18)14-3-7-15(23)8-4-14/h3-10,23H,11-12H2,1-2H3
InChIKeyLXHKUZXKFOJNLZ-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.97
Rot. Bonds6

About 3-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylpropanamide

3-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylpropanamide (PubChem CID 155539878) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylpropanamide
PubChem CID155539878
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name3-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCOc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C19H19N3O4/c1-22(2)17(24)11-12-25-16-9-5-13(6-10-16)18-20-19(26-21-18)14-3-7-15(23)8-4-14/h3-10,23H,11-12H2,1-2H3
InChIKeyLXHKUZXKFOJNLZ-UHFFFAOYSA-N
XLogP2.97
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylpropanamide 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 3-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylpropanamide (CID 155539878) is 3-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylpropanamide is CN(C)C(=O)CCOc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1.
What is the InChIKey of 3-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylpropanamide?
The InChIKey is LXHKUZXKFOJNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-22(2)17(24)11-12-25-16-9-5-13(6-10-16)18-20-19(26-21-18)14-3-7-15(23)8-4-14/h3-10,23H,11-12H2,1-2H3.
What are the key properties of 3-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylpropanamide?
3-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylpropanamide has a molecular weight of 353.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 155539878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).