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

C17H16N2O4 — CID 1147545

IUPAC2-phenyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(-c3ccccc3)o2)cc(OC)c1OC
InChIInChI=1S/C17H16N2O4/c1-20-13-9-12(10-14(21-2)15(13)22-3)17-19-18-16(23-17)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyFSBUWEPMXPKRBG-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.43
Rot. Bonds5

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

2-phenyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (PubChem CID 1147545) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-phenyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
PubChem CID1147545
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-phenyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(-c3ccccc3)o2)cc(OC)c1OC
InChIInChI=1S/C17H16N2O4/c1-20-13-9-12(10-14(21-2)15(13)22-3)17-19-18-16(23-17)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyFSBUWEPMXPKRBG-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

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Related Compounds

2-(4-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 70052
2-(4-Methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 622283
2-(4-Iodophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 46227022
2-(3-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 74642
2-(Furan-2-yl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole
CID 687460
2-(4-Fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 729586
Ethyl 2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 330196
2-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazole
CID 765546
5-(3,4-Dimethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 356902
2-(3,4-Dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 683351
2-(3,4-Dimethoxyphenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 755411
2-(1,3-Benzodioxol-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 831631

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (CID 1147545) is 2-phenyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is COc1cc(-c2nnc(-c3ccccc3)o2)cc(OC)c1OC.
What is the InChIKey of 2-phenyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is FSBUWEPMXPKRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-20-13-9-12(10-14(21-2)15(13)22-3)17-19-18-16(23-17)11-7-5-4-6-8-11/h4-10H,1-3H3.
What are the key properties of 2-phenyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
2-phenyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-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 2-phenyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 1147545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).