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

C15H14N4O — CID 104698932

IUPACN-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCNc1ccc(-c2nc(-c3ccncc3C)no2)cc1
InChIInChI=1S/C15H14N4O/c1-10-9-17-8-7-13(10)14-18-15(20-19-14)11-3-5-12(16-2)6-4-11/h3-9,16H,1-2H3
InChIKeyLWXIWQTYHWXNHE-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.15
Rot. Bonds3

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

N-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 104698932) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound NameN-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID104698932
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCNc1ccc(-c2nc(-c3ccncc3C)no2)cc1
InChIInChI=1S/C15H14N4O/c1-10-9-17-8-7-13(10)14-18-15(20-19-14)11-3-5-12(16-2)6-4-11/h3-9,16H,1-2H3
InChIKeyLWXIWQTYHWXNHE-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-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751247
N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698800
N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698928
N,2-dimethyl-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 144545362
N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 82468711
5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole)
CID 159673647
4-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 44560734
4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136770953
N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698802
(1S)-1-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899860
3-methyl-5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole
CID 131158237
2-bromo-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813854

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of N-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline (CID 104698932) is N-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for N-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for N-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline is CNc1ccc(-c2nc(-c3ccncc3C)no2)cc1.
What is the InChIKey of N-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is LWXIWQTYHWXNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-9-17-8-7-13(10)14-18-15(20-19-14)11-3-5-12(16-2)6-4-11/h3-9,16H,1-2H3.
What are the key properties of N-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
N-methyl-4-[3-(3-methyl-4-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-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 104698932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).