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

C16H14N2O3 — CID 42692255

IUPAC3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
SMILESCOc1ccc(OCc2noc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H14N2O3/c1-19-13-7-9-14(10-8-13)20-11-15-17-16(21-18-15)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyHFDUUCZVGYSZSE-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.32
Rot. Bonds5

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

3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 42692255) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
PubChem CID42692255
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
SMILESCOc1ccc(OCc2noc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H14N2O3/c1-19-13-7-9-14(10-8-13)20-11-15-17-16(21-18-15)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyHFDUUCZVGYSZSE-UHFFFAOYSA-N
XLogP3.32
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(4-methoxyphenoxy)methyl]-5-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

5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692252
[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 106484747
5-(3-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 42692369
3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
CID 59009688
3-[(3,5-dimethylphenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 78878775
3-[(3-methylphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 23205015
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844357
2-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzonitrile
CID 31438227
3-[(2,6-dichlorophenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 78848420
3-(bromomethyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 130536091
ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143067916
3-[(2,4-dimethylphenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 78878790

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole (CID 42692255) is 3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole is COc1ccc(OCc2noc(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is HFDUUCZVGYSZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-19-13-7-9-14(10-8-13)20-11-15-17-16(21-18-15)12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole?
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 282.30 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 42692255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).