5-(2,4-dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole

C16H14N2O3 — CID 893238

IUPAC5-(2,4-dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccccc3)no2)c(OC)c1
InChIInChI=1S/C16H14N2O3/c1-19-12-8-9-13(14(10-12)20-2)16-17-15(18-21-16)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyVNLYWXSBBWPODL-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.42
Rot. Bonds4

About 5-(2,4-dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole

5-(2,4-dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 893238) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole
PubChem CID893238
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name5-(2,4-dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccccc3)no2)c(OC)c1
InChIInChI=1S/C16H14N2O3/c1-19-12-8-9-13(14(10-12)20-2)16-17-15(18-21-16)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyVNLYWXSBBWPODL-UHFFFAOYSA-N
XLogP3.42
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Irampanel
CID 3038472
[2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenyl] acetate
CID 8034425
3-(4-Tert-butylphenyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 2810518
5-(2,3-Dihydrobenzofuran-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 2810520
5-(3-Methoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 619837
3-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 2810519
5-(2,4-Dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 891517
3-(3,4-Dimethoxybenzyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 645424
5-(3,5-Dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 868065
3-(4-Methoxyphenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 877438
3-(2-Methoxyphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2234387
5-(2-Methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole (CID 893238) is 5-(2,4-dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3ccccc3)no2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is VNLYWXSBBWPODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-19-12-8-9-13(14(10-12)20-2)16-17-15(18-21-16)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 5-(2,4-dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole?
5-(2,4-dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 282.30 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 893238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).