3-[(E)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline

C15H12N4O — CID 115340149

IUPAC3-[(E)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
SMILESNc1cccc(/C=C/c2nc(-c3cccnc3)no2)c1
InChIInChI=1S/C15H12N4O/c16-13-5-1-3-11(9-13)6-7-14-18-15(19-20-14)12-4-2-8-17-10-12/h1-10H,16H2/b7-6+
InChIKeyVTUTZNZVRWYMLB-VOTSOKGWSA-N
MW264.29 g/mol
LogP2.88
Rot. Bonds3

About 3-[(E)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline

3-[(E)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline (PubChem CID 115340149) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-[(E)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline.

Molecular Properties

Compound Name3-[(E)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
PubChem CID115340149
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name3-[(E)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
SMILESNc1cccc(/C=C/c2nc(-c3cccnc3)no2)c1
InChIInChI=1S/C15H12N4O/c16-13-5-1-3-11(9-13)6-7-14-18-15(19-20-14)12-4-2-8-17-10-12/h1-10H,16H2/b7-6+
InChIKeyVTUTZNZVRWYMLB-VOTSOKGWSA-N
XLogP2.88
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[5-[(E)-2-(3-aminophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921074
3-[(E)-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 82896372
3-[(Z)-2-pyridin-3-ylethenyl]aniline
CID 101109294
3-[(E)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 115340239
3-[(E)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
CID 115340174
4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]aniline
CID 133064436
4-[(E)-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
CID 115342427
3-[(E)-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 116632651
3-pyridin-3-ylaniline;dihydrochloride
CID 21146183
3-[(E)-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 115340155
5-[(E)-2-pyridin-3-ylethenyl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 146132901
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)hydrazine
CID 47003158

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline?
The IUPAC name of 3-[(E)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline (CID 115340149) is 3-[(E)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline.
What is the SMILES notation for 3-[(E)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline?
The canonical SMILES for 3-[(E)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline is Nc1cccc(/C=C/c2nc(-c3cccnc3)no2)c1.
What is the InChIKey of 3-[(E)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline?
The InChIKey is VTUTZNZVRWYMLB-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H12N4O/c16-13-5-1-3-11(9-13)6-7-14-18-15(19-20-14)12-4-2-8-17-10-12/h1-10H,16H2/b7-6+.
What are the key properties of 3-[(E)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline?
3-[(E)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline has a molecular weight of 264.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline is sourced from PubChem (CID 115340149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).