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

C15H14N4O — CID 865622

IUPACN,N-dimethyl-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline
SMILESCN(C)c1ccc(-c2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C15H14N4O/c1-19(2)13-7-5-11(6-8-13)14-17-18-15(20-14)12-4-3-9-16-10-12/h3-10H,1-2H3
InChIKeyUYAWTYJNHAOLRQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.86
Rot. Bonds3

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

N,N-dimethyl-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 865622) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N,N-dimethyl-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID865622
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN,N-dimethyl-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline
SMILESCN(C)c1ccc(-c2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C15H14N4O/c1-19(2)13-7-5-11(6-8-13)14-17-18-15(20-14)12-4-3-9-16-10-12/h3-10H,1-2H3
InChIKeyUYAWTYJNHAOLRQ-UHFFFAOYSA-N
XLogP2.86
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-(2-pyridin-3-yl-1,3-oxazol-5-yl)aniline
CID 171976930
2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25055628
2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole
CID 5052252
4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 101044631
N,N-dimethyl-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline;2,2,2-trifluoroacetic acid
CID 68720359
2-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25054875
N,N-diethyl-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline;2,2,2-trifluoroacetic acid
CID 69242057
2-(4-propoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 3169936
N,N-dimethyl-4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]aniline
CID 75615327
2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25054364
3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol
CID 25054362
2-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 655421

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline (CID 865622) is N,N-dimethyl-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline is CN(C)c1ccc(-c2nnc(-c3cccnc3)o2)cc1.
What is the InChIKey of N,N-dimethyl-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is UYAWTYJNHAOLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19(2)13-7-5-11(6-8-13)14-17-18-15(20-14)12-4-3-9-16-10-12/h3-10H,1-2H3.
What are the key properties of N,N-dimethyl-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline?
N,N-dimethyl-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 266.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 865622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).