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

C18H19N3O3 — CID 135704072

IUPAC4-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]phenol
SMILESCN(C)CCOc1ccccc1-c1nc(-c2ccc(O)cc2)no1
InChIInChI=1S/C18H19N3O3/c1-21(2)11-12-23-16-6-4-3-5-15(16)18-19-17(20-24-18)13-7-9-14(22)10-8-13/h3-10,22H,11-12H2,1-2H3
InChIKeyWIGWFWHZVSDGTI-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.05
Rot. Bonds6

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

4-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 135704072) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]phenol
PubChem CID135704072
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]phenol
SMILESCN(C)CCOc1ccccc1-c1nc(-c2ccc(O)cc2)no1
InChIInChI=1S/C18H19N3O3/c1-21(2)11-12-23-16-6-4-3-5-15(16)18-19-17(20-24-18)13-7-9-14(22)10-8-13/h3-10,22H,11-12H2,1-2H3
InChIKeyWIGWFWHZVSDGTI-UHFFFAOYSA-N
XLogP3.05
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine
CID 3038472
4-[2-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]ethenyl]phenol
CID 152781552
5-[2-(2-bromoethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 15390901
5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008
4-[5-[2-(2-amino-2-oxoethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide
CID 136543120
N,N-diethyl-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746022
2-[2-[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N,N-dimethylethanamine
CID 70241406
4-[2-[2-(dimethylamino)ethoxy]phenyl]-3-ethylphenol
CID 138383034
4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747339
4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
N,N-dimethyl-2-[2-[5-[2-(2H-triazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanamine
CID 146142288
N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746047

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 4-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]phenol (CID 135704072) is 4-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 4-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 4-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]phenol is CN(C)CCOc1ccccc1-c1nc(-c2ccc(O)cc2)no1.
What is the InChIKey of 4-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is WIGWFWHZVSDGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-21(2)11-12-23-16-6-4-3-5-15(16)18-19-17(20-24-18)13-7-9-14(22)10-8-13/h3-10,22H,11-12H2,1-2H3.
What are the key properties of 4-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]phenol?
4-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 325.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 135704072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).