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

C21H16N2O2 — CID 4795932

IUPAC3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(COc3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C21H16N2O2/c1-3-9-16(10-4-1)18-13-7-8-14-19(18)24-15-20-22-21(23-25-20)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyHHVHRTMJGPAZBW-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.98
Rot. Bonds5

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

3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 4795932) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
PubChem CID4795932
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(COc3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C21H16N2O2/c1-3-9-16(10-4-1)18-13-7-8-14-19(18)24-15-20-22-21(23-25-20)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyHHVHRTMJGPAZBW-UHFFFAOYSA-N
XLogP4.98
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-5-[(2-phenylphenoxy)methyl]-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

5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole
CID 873913
5-[(2,3-dichlorophenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 7611454
methyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetate
CID 91991140
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 30029327
5-[(2-chloro-4-phenylphenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 18290343
2-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 63746874
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 30029346
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 30028981
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethoxybenzoate
CID 8607847
5-[(2,3-dimethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 750800
N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25238417
5-[2-(2-bromoethoxy)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 15390901

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole (CID 4795932) is 3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole is c1ccc(-c2noc(COc3ccccc3-c3ccccc3)n2)cc1.
What is the InChIKey of 3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is HHVHRTMJGPAZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-3-9-16(10-4-1)18-13-7-8-14-19(18)24-15-20-22-21(23-25-20)17-11-5-2-6-12-17/h1-14H,15H2.
What are the key properties of 3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole?
3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 328.37 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 4795932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).