5-[2-(2-bromoethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole

C16H13BrN2O2 — CID 15390901

IUPAC5-[2-(2-bromoethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole
SMILESBrCCOc1ccccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C16H13BrN2O2/c17-10-11-20-14-9-5-4-8-13(14)16-18-15(19-21-16)12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyYITMFXKOOCPSBN-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.18
Rot. Bonds5

About 5-[2-(2-bromoethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole

5-[2-(2-bromoethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 15390901) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 5-[2-(2-bromoethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(2-bromoethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID15390901
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name5-[2-(2-bromoethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole
SMILESBrCCOc1ccccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C16H13BrN2O2/c17-10-11-20-14-9-5-4-8-13(14)16-18-15(19-21-16)12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyYITMFXKOOCPSBN-UHFFFAOYSA-N
XLogP4.18
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-(2-bromoethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole 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

N,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine
CID 3038472
5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008
4-[5-[2-[2-(dimethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]phenol
CID 135704072
3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 2231572
3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
CID 4795932
3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 19330739
4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747339
(2S)-N,N-dimethyl-1-phenyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]propan-2-amine
CID 90895392
5-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-phenyl-1,2,4-oxadiazole
CID 70235898
N,N-diethyl-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746022
2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23008204
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-bromoethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(2-bromoethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole (CID 15390901) is 5-[2-(2-bromoethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(2-bromoethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(2-bromoethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole is BrCCOc1ccccc1-c1nc(-c2ccccc2)no1.
What is the InChIKey of 5-[2-(2-bromoethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is YITMFXKOOCPSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c17-10-11-20-14-9-5-4-8-13(14)16-18-15(19-21-16)12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 5-[2-(2-bromoethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole?
5-[2-(2-bromoethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 345.20 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-bromoethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 15390901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).