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

C16H12FN3O — CID 115342442

IUPAC4-[(E)-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
SMILESNc1ccc(/C=C/c2nc(-c3ccccc3F)no2)cc1
InChIInChI=1S/C16H12FN3O/c17-14-4-2-1-3-13(14)16-19-15(21-20-16)10-7-11-5-8-12(18)9-6-11/h1-10H,18H2/b10-7+
InChIKeyTYYYPZRWLBSWSK-JXMROGBWSA-N
MW281.29 g/mol
LogP3.63
Rot. Bonds3

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

4-[(E)-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline (PubChem CID 115342442) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 4-[(E)-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
PubChem CID115342442
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name4-[(E)-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
SMILESNc1ccc(/C=C/c2nc(-c3ccccc3F)no2)cc1
InChIInChI=1S/C16H12FN3O/c17-14-4-2-1-3-13(14)16-19-15(21-20-16)10-7-11-5-8-12(18)9-6-11/h1-10H,18H2/b10-7+
InChIKeyTYYYPZRWLBSWSK-JXMROGBWSA-N
XLogP3.63
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
2-methyl-3-[5-[(Z)-2-(4-propan-2-ylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]aniline
CID 19330453
3-[(E)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 115340239
4-[(E)-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
CID 115528712
4-[(E)-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
CID 115342427
5-[(E)-2-(4-aminophenyl)ethenyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790396
2,4-difluoro-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62715086
1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 62716117
4-fluoro-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62716460
2-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712713
5-ethyl-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 129238942

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline?
The IUPAC name of 4-[(E)-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline (CID 115342442) is 4-[(E)-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline is Nc1ccc(/C=C/c2nc(-c3ccccc3F)no2)cc1.
What is the InChIKey of 4-[(E)-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline?
The InChIKey is TYYYPZRWLBSWSK-JXMROGBWSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-14-4-2-1-3-13(14)16-19-15(21-20-16)10-7-11-5-8-12(18)9-6-11/h1-10H,18H2/b10-7+.
What are the key properties of 4-[(E)-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline?
4-[(E)-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline has a molecular weight of 281.29 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline is sourced from PubChem (CID 115342442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).