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

C12H13N3O — CID 115340174

IUPAC3-[(E)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
SMILESCCc1noc(/C=C/c2cccc(N)c2)n1
InChIInChI=1S/C12H13N3O/c1-2-11-14-12(16-15-11)7-6-9-4-3-5-10(13)8-9/h3-8H,2,13H2,1H3/b7-6+
InChIKeyNPTGMEBCKUOGOE-VOTSOKGWSA-N
MW215.26 g/mol
LogP2.38
Rot. Bonds3

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

3-[(E)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethenyl]aniline (PubChem CID 115340174) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-[(E)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethenyl]aniline.

Molecular Properties

Compound Name3-[(E)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
PubChem CID115340174
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-[(E)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
SMILESCCc1noc(/C=C/c2cccc(N)c2)n1
InChIInChI=1S/C12H13N3O/c1-2-11-14-12(16-15-11)7-6-9-4-3-5-10(13)8-9/h3-8H,2,13H2,1H3/b7-6+
InChIKeyNPTGMEBCKUOGOE-VOTSOKGWSA-N
XLogP2.38
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(E)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(E)-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 115340155
3-[(E)-2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 116740567
3-[(E)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 115340239
3-[(E)-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 116632651
3-[(E)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
CID 115340149
3-[5-[(E)-2-(3-aminophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921074
3-[(E)-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 104609642
3-[(E)-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 115340336
3-[(E)-2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 82896372
5-[(E)-2-(3-aminophenyl)ethenyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790777
3-[(E)-2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 115340348
3-[(Z)-2-pyridin-3-ylethenyl]aniline
CID 101109294

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethenyl]aniline?
The IUPAC name of 3-[(E)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethenyl]aniline (CID 115340174) is 3-[(E)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethenyl]aniline.
What is the SMILES notation for 3-[(E)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethenyl]aniline?
The canonical SMILES for 3-[(E)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethenyl]aniline is CCc1noc(/C=C/c2cccc(N)c2)n1.
What is the InChIKey of 3-[(E)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethenyl]aniline?
The InChIKey is NPTGMEBCKUOGOE-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-11-14-12(16-15-11)7-6-9-4-3-5-10(13)8-9/h3-8H,2,13H2,1H3/b7-6+.
What are the key properties of 3-[(E)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethenyl]aniline?
3-[(E)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethenyl]aniline has a molecular weight of 215.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethenyl]aniline is sourced from PubChem (CID 115340174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).