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

C22H18N2O3 — CID 8895210

IUPAC3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3ccc(-c4ccccc4)cc3)n2)cc1OC
InChIInChI=1S/C22H18N2O3/c1-25-19-13-12-18(14-20(19)26-2)21-23-22(27-24-21)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14H,1-2H3
InChIKeyDPQBZOSUPQRLFM-UHFFFAOYSA-N
MW358.40 g/mol
LogP5.09
Rot. Bonds5

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

3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole (PubChem CID 8895210) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
PubChem CID8895210
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3ccc(-c4ccccc4)cc3)n2)cc1OC
InChIInChI=1S/C22H18N2O3/c1-25-19-13-12-18(14-20(19)26-2)21-23-22(27-24-21)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14H,1-2H3
InChIKeyDPQBZOSUPQRLFM-UHFFFAOYSA-N
XLogP5.09
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-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-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 4544688
5-(3,4-dimethoxyphenyl)-3-[3-methoxy-4-(1-phenylethoxy)phenyl]-1,2,4-oxadiazole
CID 46044246
3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]-5-phenyl-1,2,4-oxadiazole
CID 46044217
N-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829226
5-(3,4-dimethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138515
3-(3,4-dimethoxyphenyl)-5-(2-phenylethenyl)-1,2,4-oxadiazole
CID 2994581
5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole
CID 2979292
2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 46267171
4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136889520
3-(3-methoxy-5-methyl-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole
CID 71094125
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
3-(3,4-dimethoxyphenyl)-5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 16956456

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole (CID 8895210) is 3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(-c3ccc(-c4ccccc4)cc3)n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole?
The InChIKey is DPQBZOSUPQRLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-25-19-13-12-18(14-20(19)26-2)21-23-22(27-24-21)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14H,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole?
3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole has a molecular weight of 358.40 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 8895210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).