2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline

C16H15N3O2 — CID 43519239

IUPAC2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
SMILESCNc1ccccc1-c1nc(-c2cccc(OC)c2)no1
InChIInChI=1S/C16H15N3O2/c1-17-14-9-4-3-8-13(14)16-18-15(19-21-16)11-6-5-7-12(10-11)20-2/h3-10,17H,1-2H3
InChIKeyCYXBNKUNUJTQQJ-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.45
Rot. Bonds4

About 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline

2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline (PubChem CID 43519239) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
PubChem CID43519239
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
SMILESCNc1ccccc1-c1nc(-c2cccc(OC)c2)no1
InChIInChI=1S/C16H15N3O2/c1-17-14-9-4-3-8-13(14)16-18-15(19-21-16)11-6-5-7-12(10-11)20-2/h3-10,17H,1-2H3
InChIKeyCYXBNKUNUJTQQJ-UHFFFAOYSA-N
XLogP3.45
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43514779
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
CID 3730602
N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3742791
4-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888916
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904028
5-(2,4-dimethylpyrimidin-5-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 99821058
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one
CID 851433
5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706529
4-iodo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885977
2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 102949561
4-bromo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62072815
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-methoxybenzamide
CID 4972451

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
The IUPAC name of 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline (CID 43519239) is 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
The canonical SMILES for 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline is CNc1ccccc1-c1nc(-c2cccc(OC)c2)no1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
The InChIKey is CYXBNKUNUJTQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-17-14-9-4-3-8-13(14)16-18-15(19-21-16)11-6-5-7-12(10-11)20-2/h3-10,17H,1-2H3.
What are the key properties of 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline has a molecular weight of 281.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline is sourced from PubChem (CID 43519239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).