N-methyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline

C15H14N4O — CID 63841053

IUPACN-methyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCNc1ccccc1-c1nc(-c2cc(C)ccn2)no1
InChIInChI=1S/C15H14N4O/c1-10-7-8-17-13(9-10)14-18-15(20-19-14)11-5-3-4-6-12(11)16-2/h3-9,16H,1-2H3
InChIKeyZAGUKOYDIJXHCN-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.15
Rot. Bonds3

About N-methyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline

N-methyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 63841053) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-methyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound NameN-methyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID63841053
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-methyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCNc1ccccc1-c1nc(-c2cc(C)ccn2)no1
InChIInChI=1S/C15H14N4O/c1-10-7-8-17-13(9-10)14-18-15(20-19-14)11-5-3-4-6-12(11)16-2/h3-9,16H,1-2H3
InChIKeyZAGUKOYDIJXHCN-UHFFFAOYSA-N
XLogP3.15
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 102949561
3-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63841342
3-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329065
2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 62387567
3-chloro-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63840346
1-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
CID 63840780
4-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888916
2-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80741141
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43514779
2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 107280132
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43519239
5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 55257340

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of N-methyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline (CID 63841053) is N-methyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for N-methyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for N-methyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline is CNc1ccccc1-c1nc(-c2cc(C)ccn2)no1.
What is the InChIKey of N-methyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is ZAGUKOYDIJXHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-7-8-17-13(9-10)14-18-15(20-19-14)11-5-3-4-6-12(11)16-2/h3-9,16H,1-2H3.
What are the key properties of N-methyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
N-methyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 266.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 63841053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).