N,N-dimethyl-4-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)aniline

C14H13N5O — CID 53013602

IUPACN,N-dimethyl-4-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)aniline
SMILESCN(C)c1ccc(-c2noc(-c3cnccn3)n2)cc1
InChIInChI=1S/C14H13N5O/c1-19(2)11-5-3-10(4-6-11)13-17-14(20-18-13)12-9-15-7-8-16-12/h3-9H,1-2H3
InChIKeyNCOZKLXBWDBMFY-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.26
Rot. Bonds3

About N,N-dimethyl-4-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)aniline

N,N-dimethyl-4-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)aniline (PubChem CID 53013602) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N,N-dimethyl-4-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)aniline
PubChem CID53013602
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN,N-dimethyl-4-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)aniline
SMILESCN(C)c1ccc(-c2noc(-c3cnccn3)n2)cc1
InChIInChI=1S/C14H13N5O/c1-19(2)11-5-3-10(4-6-11)13-17-14(20-18-13)12-9-15-7-8-16-12/h3-9H,1-2H3
InChIKeyNCOZKLXBWDBMFY-UHFFFAOYSA-N
XLogP2.26
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole
CID 46361414
3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole
CID 53006809
4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline
CID 50769449
2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)ethanol
CID 164656797
1-propyl-3-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 53005885
N,N-dimethyl-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 50769325
3-(4-methylphenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527948
3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole
CID 53011767
3-[4-fluoro-2-(trifluoromethyl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole
CID 100695116
3-(4-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527949
4-[5-[4-(dimethylamino)phenyl]pyrazin-2-yl]-N,N-dimethylaniline
CID 102012408
5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 99963071

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)aniline (CID 53013602) is N,N-dimethyl-4-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)aniline is CN(C)c1ccc(-c2noc(-c3cnccn3)n2)cc1.
What is the InChIKey of N,N-dimethyl-4-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)aniline?
The InChIKey is NCOZKLXBWDBMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-19(2)11-5-3-10(4-6-11)13-17-14(20-18-13)12-9-15-7-8-16-12/h3-9H,1-2H3.
What are the key properties of N,N-dimethyl-4-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)aniline?
N,N-dimethyl-4-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)aniline has a molecular weight of 267.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)aniline is sourced from PubChem (CID 53013602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).