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

C16H16N4O — CID 144545362

IUPACN,2-dimethyl-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCNc1cc(-c2nc(-c3cnccc3C)no2)ccc1C
InChIInChI=1S/C16H16N4O/c1-10-6-7-18-9-13(10)15-19-16(21-20-15)12-5-4-11(2)14(8-12)17-3/h4-9,17H,1-3H3
InChIKeyWIDOODNTYUATQT-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.46
Rot. Bonds3

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

N,2-dimethyl-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 144545362) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N,2-dimethyl-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound NameN,2-dimethyl-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID144545362
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN,2-dimethyl-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCNc1cc(-c2nc(-c3cnccc3C)no2)ccc1C
InChIInChI=1S/C16H16N4O/c1-10-6-7-18-9-13(10)15-19-16(21-20-15)12-5-4-11(2)14(8-12)17-3/h4-9,17H,1-3H3
InChIKeyWIDOODNTYUATQT-UHFFFAOYSA-N
XLogP3.46
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813854
5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107707047
N-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698932
2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904315
2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751247
2,4-dibromo-6-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 114876714
2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol
CID 63850419
3-methyl-2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 114876623
2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 28539900
N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 114878940
3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 114877100
2-amino-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872205

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of N,2-dimethyl-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline (CID 144545362) is N,2-dimethyl-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for N,2-dimethyl-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for N,2-dimethyl-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline is CNc1cc(-c2nc(-c3cnccc3C)no2)ccc1C.
What is the InChIKey of N,2-dimethyl-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is WIDOODNTYUATQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-6-7-18-9-13(10)15-19-16(21-20-15)12-5-4-11(2)14(8-12)17-3/h4-9,17H,1-3H3.
What are the key properties of N,2-dimethyl-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
N,2-dimethyl-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 280.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 144545362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).