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

C14H11N5O — CID 115342427

IUPAC4-[(E)-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
SMILESNc1ccc(/C=C/c2nc(-c3cnccn3)no2)cc1
InChIInChI=1S/C14H11N5O/c15-11-4-1-10(2-5-11)3-6-13-18-14(19-20-13)12-9-16-7-8-17-12/h1-9H,15H2/b6-3+
InChIKeyJOIDJCDDWDDHFF-ZZXKWVIFSA-N
MW265.28 g/mol
LogP2.28
Rot. Bonds3

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

4-[(E)-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline (PubChem CID 115342427) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 4-[(E)-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
PubChem CID115342427
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name4-[(E)-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
SMILESNc1ccc(/C=C/c2nc(-c3cnccn3)no2)cc1
InChIInChI=1S/C14H11N5O/c15-11-4-1-10(2-5-11)3-6-13-18-14(19-20-13)12-9-16-7-8-17-12/h1-9H,15H2/b6-3+
InChIKeyJOIDJCDDWDDHFF-ZZXKWVIFSA-N
XLogP2.28
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
CID 115528712
5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 91644254
4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]aniline
CID 133064436
4-[(E)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
CID 115342401
4-[(E)-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 115342442
5-[(E)-2-(4-aminophenyl)ethenyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790396
4-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]aniline
CID 104503160
3-[(E)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
CID 115340149
(1R)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93298235
4-[(E)-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
CID 116807331
(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63758301
5-[(1R,2R)-2-methylcyclopropyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 97014363

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline?
The IUPAC name of 4-[(E)-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline (CID 115342427) is 4-[(E)-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline is Nc1ccc(/C=C/c2nc(-c3cnccn3)no2)cc1.
What is the InChIKey of 4-[(E)-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline?
The InChIKey is JOIDJCDDWDDHFF-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H11N5O/c15-11-4-1-10(2-5-11)3-6-13-18-14(19-20-13)12-9-16-7-8-17-12/h1-9H,15H2/b6-3+.
What are the key properties of 4-[(E)-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline?
4-[(E)-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline has a molecular weight of 265.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline is sourced from PubChem (CID 115342427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).