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

C17H16N2O4 — CID 4544688

IUPAC5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C17H16N2O4/c1-20-13-9-12(10-14(21-2)15(13)22-3)16-18-17(23-19-16)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyLPHJVDXSVLKUDH-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.43
Rot. Bonds5

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

5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 4544688) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID4544688
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C17H16N2O4/c1-20-13-9-12(10-14(21-2)15(13)22-3)16-18-17(23-19-16)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyLPHJVDXSVLKUDH-UHFFFAOYSA-N
XLogP3.43
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-phenyl-3-(3,4,5-trimethoxyphenyl)-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

3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
3-(3-methoxy-5-methyl-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole
CID 71094125
3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole
CID 59556655
(3-phenyl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 127036065
5-[1-(2-bromophenyl)-2,5-dimethylimidazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 118256420
5-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038059
5-(4-bromo-1,2-thiazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 167840991
N-propan-2-yl-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3159481
3-chloro-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 112572038
3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]-5-phenyl-1,2,4-oxadiazole
CID 46044217
5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 91892579
2-(4-methoxyphenyl)-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]isoquinolin-1-one
CID 45499945

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (CID 4544688) is 5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is COc1cc(-c2noc(-c3ccccc3)n2)cc(OC)c1OC.
What is the InChIKey of 5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is LPHJVDXSVLKUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-20-13-9-12(10-14(21-2)15(13)22-3)16-18-17(23-19-16)11-7-5-4-6-8-11/h4-10H,1-3H3.
What are the key properties of 5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 312.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 4544688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).