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

C15H18N4O — CID 116807331

IUPAC4-[(E)-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
SMILESNc1ccc(/C=C/c2nc(N3CCCCC3)no2)cc1
InChIInChI=1S/C15H18N4O/c16-13-7-4-12(5-8-13)6-9-14-17-15(18-20-14)19-10-2-1-3-11-19/h4-9H,1-3,10-11,16H2/b9-6+
InChIKeyRTAPFGSLUHQMIM-RMKNXTFCSA-N
MW270.34 g/mol
LogP2.81
Rot. Bonds3

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

4-[(E)-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline (PubChem CID 116807331) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-[(E)-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
PubChem CID116807331
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-[(E)-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
SMILESNc1ccc(/C=C/c2nc(N3CCCCC3)no2)cc1
InChIInChI=1S/C15H18N4O/c16-13-7-4-12(5-8-13)6-9-14-17-15(18-20-14)19-10-2-1-3-11-19/h4-9H,1-3,10-11,16H2/b9-6+
InChIKeyRTAPFGSLUHQMIM-RMKNXTFCSA-N
XLogP2.81
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.81
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

5-[(E)-2-(4-aminophenyl)ethenyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790396
5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-3-piperazin-1-yl-1,2,4-oxadiazole
CID 167830642
4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]aniline
CID 133064436
4-chloro-3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)aniline
CID 116806560
4-[(E)-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 115342442
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 116808037
4-[(E)-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
CID 115528712
6-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 116808091
1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine
CID 56975979
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83618709
1-[4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]pyrrolidin-2-one
CID 120861694
5-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-2-bromoaniline
CID 107813852

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline?
The IUPAC name of 4-[(E)-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline (CID 116807331) is 4-[(E)-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline is Nc1ccc(/C=C/c2nc(N3CCCCC3)no2)cc1.
What is the InChIKey of 4-[(E)-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline?
The InChIKey is RTAPFGSLUHQMIM-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H18N4O/c16-13-7-4-12(5-8-13)6-9-14-17-15(18-20-14)19-10-2-1-3-11-19/h4-9H,1-3,10-11,16H2/b9-6+.
What are the key properties of 4-[(E)-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline?
4-[(E)-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline has a molecular weight of 270.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline is sourced from PubChem (CID 116807331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).