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

C14H12N4O — CID 28713579

IUPAC3-(1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline
SMILESc1cncc(CNc2cccc(-c3nnco3)c2)c1
InChIInChI=1S/C14H12N4O/c1-4-12(14-18-17-10-19-14)7-13(5-1)16-9-11-3-2-6-15-8-11/h1-8,10,16H,9H2
InChIKeySXPJGSPXZDJWAE-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.74
Rot. Bonds4

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

3-(1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline (PubChem CID 28713579) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-(1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name3-(1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline
PubChem CID28713579
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name3-(1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline
SMILESc1cncc(CNc2cccc(-c3nnco3)c2)c1
InChIInChI=1S/C14H12N4O/c1-4-12(14-18-17-10-19-14)7-13(5-1)16-9-11-3-2-6-15-8-11/h1-8,10,16H,9H2
InChIKeySXPJGSPXZDJWAE-UHFFFAOYSA-N
XLogP2.74
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]benzonitrile
CID 28713696
N-[(1-methylpyrrol-3-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 66397871
3-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662478
N-[(3-chloro-5-fluorophenyl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 114452239
N-(pyridin-3-ylmethyl)-3-(2H-tetrazol-5-yl)aniline
CID 43732044
N-[(3-ethylimidazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 66133774
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
[5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol
CID 64579745
N-[(4-bromothiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 28972991
N-[(3-methylthiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 28713589
N-[(4-chlorothiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 79419872
N-[(1-ethylimidazol-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 62356208

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 3-(1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline (CID 28713579) is 3-(1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 3-(1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 3-(1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline is c1cncc(CNc2cccc(-c3nnco3)c2)c1.
What is the InChIKey of 3-(1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is SXPJGSPXZDJWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-4-12(14-18-17-10-19-14)7-13(5-1)16-9-11-3-2-6-15-8-11/h1-8,10,16H,9H2.
What are the key properties of 3-(1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline?
3-(1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 252.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 28713579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).