N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline

C14H12N4O — CID 104698802

IUPACN-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline
SMILESCNc1ccc(-c2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C14H12N4O/c1-15-11-7-5-10(6-8-11)14-17-13(18-19-14)12-4-2-3-9-16-12/h2-9,15H,1H3
InChIKeyAPOHJAFKSVJMSP-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.84
Rot. Bonds3

About N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline

N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 104698802) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound NameN-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID104698802
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline
SMILESCNc1ccc(-c2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C14H12N4O/c1-15-11-7-5-10(6-8-11)14-17-13(18-19-14)12-4-2-3-9-16-12/h2-9,15H,1H3
InChIKeyAPOHJAFKSVJMSP-UHFFFAOYSA-N
XLogP2.84
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 838877
N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698928
5-(4-ethylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 5346667
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 103655221
N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698800
5-(4-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 867097
5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 30028861
[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide
CID 99839573
4-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 44560734
5-(3-bromo-5-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 142165311
5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 750612
N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 82468711

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline (CID 104698802) is N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline is CNc1ccc(-c2nc(-c3ccccn3)no2)cc1.
What is the InChIKey of N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is APOHJAFKSVJMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-15-11-7-5-10(6-8-11)14-17-13(18-19-14)12-4-2-3-9-16-12/h2-9,15H,1H3.
What are the key properties of N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline?
N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 252.28 g/mol, XLogP of 2.84, 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-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 104698802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).