4-[2-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]ethenyl]phenol

C20H21N3O3 — CID 152781552

IUPAC4-[2-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]ethenyl]phenol
SMILESCN(C)CCOc1ccccc1-c1nc(C=Cc2ccc(O)cc2)no1
InChIInChI=1S/C20H21N3O3/c1-23(2)13-14-25-18-6-4-3-5-17(18)20-21-19(22-26-20)12-9-15-7-10-16(24)11-8-15/h3-12,24H,13-14H2,1-2H3
InChIKeySNCPRUWJYRLFQH-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.55
Rot. Bonds7

About 4-[2-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]ethenyl]phenol

4-[2-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]ethenyl]phenol (PubChem CID 152781552) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[2-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]ethenyl]phenol.

Molecular Properties

Compound Name4-[2-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]ethenyl]phenol
PubChem CID152781552
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-[2-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]ethenyl]phenol
SMILESCN(C)CCOc1ccccc1-c1nc(C=Cc2ccc(O)cc2)no1
InChIInChI=1S/C20H21N3O3/c1-23(2)13-14-25-18-6-4-3-5-17(18)20-21-19(22-26-20)12-9-15-7-10-16(24)11-8-15/h3-12,24H,13-14H2,1-2H3
InChIKeySNCPRUWJYRLFQH-UHFFFAOYSA-N
XLogP3.55
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]ethenyl]phenol?
The IUPAC name of 4-[2-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]ethenyl]phenol (CID 152781552) is 4-[2-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]ethenyl]phenol.
What is the SMILES notation for 4-[2-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]ethenyl]phenol?
The canonical SMILES for 4-[2-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]ethenyl]phenol is CN(C)CCOc1ccccc1-c1nc(C=Cc2ccc(O)cc2)no1.
What is the InChIKey of 4-[2-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]ethenyl]phenol?
The InChIKey is SNCPRUWJYRLFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-23(2)13-14-25-18-6-4-3-5-17(18)20-21-19(22-26-20)12-9-15-7-10-16(24)11-8-15/h3-12,24H,13-14H2,1-2H3.
What are the key properties of 4-[2-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]ethenyl]phenol?
4-[2-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]ethenyl]phenol has a molecular weight of 351.41 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]ethenyl]phenol is sourced from PubChem (CID 152781552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).