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

C15H17N3O2 — CID 115340155

IUPAC3-[(E)-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
SMILESNc1cccc(/C=C/c2nc(CC3CCCO3)no2)c1
InChIInChI=1S/C15H17N3O2/c16-12-4-1-3-11(9-12)6-7-15-17-14(18-20-15)10-13-5-2-8-19-13/h1,3-4,6-7,9,13H,2,5,8,10,16H2/b7-6+
InChIKeyKTBLMDLTGCDFOF-VOTSOKGWSA-N
MW271.32 g/mol
LogP2.54
Rot. Bonds4

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

3-[(E)-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline (PubChem CID 115340155) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[(E)-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline.

Molecular Properties

Compound Name3-[(E)-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
PubChem CID115340155
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-[(E)-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
SMILESNc1cccc(/C=C/c2nc(CC3CCCO3)no2)c1
InChIInChI=1S/C15H17N3O2/c16-12-4-1-3-11(9-12)6-7-15-17-14(18-20-15)10-13-5-2-8-19-13/h1,3-4,6-7,9,13H,2,5,8,10,16H2/b7-6+
InChIKeyKTBLMDLTGCDFOF-VOTSOKGWSA-N
XLogP2.54
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(E)-2-[3-(oxolan-2-ylmethyl)-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-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 104609642
4-chloro-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 60861376
3-[(E)-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 115340336
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-[5-[(E)-2-(3-aminophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921074
3-[(E)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 115340239
3-[(E)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
CID 115340149
2-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43103130
2-(oxolan-2-ylmethyl)pyrimidin-5-amine
CID 43142229
5-fluoro-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43100122
2-(oxolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117134413

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline?
The IUPAC name of 3-[(E)-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline (CID 115340155) is 3-[(E)-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline.
What is the SMILES notation for 3-[(E)-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline?
The canonical SMILES for 3-[(E)-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline is Nc1cccc(/C=C/c2nc(CC3CCCO3)no2)c1.
What is the InChIKey of 3-[(E)-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline?
The InChIKey is KTBLMDLTGCDFOF-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-12-4-1-3-11(9-12)6-7-15-17-14(18-20-15)10-13-5-2-8-19-13/h1,3-4,6-7,9,13H,2,5,8,10,16H2/b7-6+.
What are the key properties of 3-[(E)-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline?
3-[(E)-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline has a molecular weight of 271.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline is sourced from PubChem (CID 115340155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).