3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-N,N-dimethylaniline

C17H16ClN3O2 — CID 110655686

IUPAC3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(OCc2nnc(-c3ccccc3Cl)o2)c1
InChIInChI=1S/C17H16ClN3O2/c1-21(2)12-6-5-7-13(10-12)22-11-16-19-20-17(23-16)14-8-3-4-9-15(14)18/h3-10H,11H2,1-2H3
InChIKeyRJKKJVOZEHZGAD-UHFFFAOYSA-N
MW329.79 g/mol
LogP4.03
Rot. Bonds5

About 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-N,N-dimethylaniline

3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-N,N-dimethylaniline (PubChem CID 110655686) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-N,N-dimethylaniline
PubChem CID110655686
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(OCc2nnc(-c3ccccc3Cl)o2)c1
InChIInChI=1S/C17H16ClN3O2/c1-21(2)12-6-5-7-13(10-12)22-11-16-19-20-17(23-16)14-8-3-4-9-15(14)18/h3-10H,11H2,1-2H3
InChIKeyRJKKJVOZEHZGAD-UHFFFAOYSA-N
XLogP4.03
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655637
2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655671
2-(2-chlorophenyl)-5-[(4-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole
CID 23660822
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylaniline
CID 45106047
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(dimethylamino)benzamide
CID 16557614
1-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]propan-1-one
CID 78801452
2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpyridin-4-amine
CID 154779569
2-(2-bromophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 7894295
2-[(3-bromophenoxy)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole
CID 7894332
3-chloro-4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzonitrile
CID 78814942
2-[(2,3-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655669
3-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N,N-dimethylaniline
CID 42692318

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-N,N-dimethylaniline?
The IUPAC name of 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-N,N-dimethylaniline (CID 110655686) is 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-N,N-dimethylaniline is CN(C)c1cccc(OCc2nnc(-c3ccccc3Cl)o2)c1.
What is the InChIKey of 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-N,N-dimethylaniline?
The InChIKey is RJKKJVOZEHZGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-21(2)12-6-5-7-13(10-12)22-11-16-19-20-17(23-16)14-8-3-4-9-15(14)18/h3-10H,11H2,1-2H3.
What are the key properties of 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-N,N-dimethylaniline?
3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-N,N-dimethylaniline has a molecular weight of 329.79 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-N,N-dimethylaniline is sourced from PubChem (CID 110655686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).