N,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine

C18H19N3O2 — CID 3038472

IUPACN,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine
SMILESCN(C)CCOc1ccccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H19N3O2/c1-21(2)12-13-22-16-11-7-6-10-15(16)18-19-17(20-23-18)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3
InChIKeyQZULPCPLWGCGSL-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.34
Rot. Bonds6

About N,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine

N,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine (PubChem CID 3038472) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine
PubChem CID3038472
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine
SMILESCN(C)CCOc1ccccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H19N3O2/c1-21(2)12-13-22-16-11-7-6-10-15(16)18-19-17(20-23-18)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3
InChIKeyQZULPCPLWGCGSL-UHFFFAOYSA-N
XLogP3.34
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]phenol
CID 135704072
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-[2-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]ethenyl]phenol
CID 152781552
N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine
CID 2184471
2-[2-[3-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N,N-dimethylethanamine
CID 70241406
(2S)-N,N-dimethyl-1-phenyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]propan-2-amine
CID 90895392
N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
CID 2182223
4-[5-[2-(2-amino-2-oxoethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide
CID 136543120
3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 2231572
N,N-dimethyl-2-[2-[5-[2-(2H-triazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]phenoxy]ethanamine
CID 146142288
3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
CID 4795932

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine (CID 3038472) is N,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine is CN(C)CCOc1ccccc1-c1nc(-c2ccccc2)no1.
What is the InChIKey of N,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine?
The InChIKey is QZULPCPLWGCGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-21(2)12-13-22-16-11-7-6-10-15(16)18-19-17(20-23-18)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine?
N,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine has a molecular weight of 309.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine is sourced from PubChem (CID 3038472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).