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

C14H12N4O — CID 28713238

IUPAC4-(1,3,4-oxadiazol-2-yl)-N-(pyridin-4-ylmethyl)aniline
SMILESc1cc(CNc2ccc(-c3nnco3)cc2)ccn1
InChIInChI=1S/C14H12N4O/c1-3-13(16-9-11-5-7-15-8-6-11)4-2-12(1)14-18-17-10-19-14/h1-8,10,16H,9H2
InChIKeyJNNYNHIICIZNSQ-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.74
Rot. Bonds4

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

4-(1,3,4-oxadiazol-2-yl)-N-(pyridin-4-ylmethyl)aniline (PubChem CID 28713238) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-(1,3,4-oxadiazol-2-yl)-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-(1,3,4-oxadiazol-2-yl)-N-(pyridin-4-ylmethyl)aniline
PubChem CID28713238
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name4-(1,3,4-oxadiazol-2-yl)-N-(pyridin-4-ylmethyl)aniline
SMILESc1cc(CNc2ccc(-c3nnco3)cc2)ccn1
InChIInChI=1S/C14H12N4O/c1-3-13(16-9-11-5-7-15-8-6-11)4-2-12(1)14-18-17-10-19-14/h1-8,10,16H,9H2
InChIKeyJNNYNHIICIZNSQ-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-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]benzonitrile
CID 28713347
N-[(3-bromo-4-methylphenyl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 115876885
N-[(5-ethylfuran-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 62346309
N-methyl-1-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine
CID 141270566
4-[4-(1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70758658
N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine
CID 130329770
2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophen-3-amine
CID 66387317
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43663669
4-chloro-2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenol
CID 29031159
N-[(2-chloro-4-fluorophenyl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 103818606
3-(1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)aniline
CID 28713579
2-methyl-6-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenol
CID 115903751

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,4-oxadiazol-2-yl)-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 4-(1,3,4-oxadiazol-2-yl)-N-(pyridin-4-ylmethyl)aniline (CID 28713238) is 4-(1,3,4-oxadiazol-2-yl)-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 4-(1,3,4-oxadiazol-2-yl)-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 4-(1,3,4-oxadiazol-2-yl)-N-(pyridin-4-ylmethyl)aniline is c1cc(CNc2ccc(-c3nnco3)cc2)ccn1.
What is the InChIKey of 4-(1,3,4-oxadiazol-2-yl)-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is JNNYNHIICIZNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-3-13(16-9-11-5-7-15-8-6-11)4-2-12(1)14-18-17-10-19-14/h1-8,10,16H,9H2.
What are the key properties of 4-(1,3,4-oxadiazol-2-yl)-N-(pyridin-4-ylmethyl)aniline?
4-(1,3,4-oxadiazol-2-yl)-N-(pyridin-4-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 4-(1,3,4-oxadiazol-2-yl)-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 28713238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).