2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]phenol

C18H17N3O2 — CID 5296010

IUPAC2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCN(C)c1ccc(/C=C/c2noc(-c3ccccc3O)n2)cc1
InChIInChI=1S/C18H17N3O2/c1-21(2)14-10-7-13(8-11-14)9-12-17-19-18(23-20-17)15-5-3-4-6-16(15)22/h3-12,22H,1-2H3/b12-9+
InChIKeyCLAYRKVILRITPE-FMIVXFBMSA-N
MW307.35 g/mol
LogP3.68
Rot. Bonds4

About 2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]phenol

2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 5296010) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID5296010
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCN(C)c1ccc(/C=C/c2noc(-c3ccccc3O)n2)cc1
InChIInChI=1S/C18H17N3O2/c1-21(2)14-10-7-13(8-11-14)9-12-17-19-18(23-20-17)15-5-3-4-6-16(15)22/h3-12,22H,1-2H3/b12-9+
InChIKeyCLAYRKVILRITPE-FMIVXFBMSA-N
XLogP3.68
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]phenol (CID 5296010) is 2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]phenol is CN(C)c1ccc(/C=C/c2noc(-c3ccccc3O)n2)cc1.
What is the InChIKey of 2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is CLAYRKVILRITPE-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-21(2)14-10-7-13(8-11-14)9-12-17-19-18(23-20-17)15-5-3-4-6-16(15)22/h3-12,22H,1-2H3/b12-9+.
What are the key properties of 2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]phenol?
2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 307.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 5296010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).