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

C18H18N2O3 — CID 3156036

IUPAC5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2nc(-c3ccccc3)no2)cc1OCC
InChIInChI=1S/C18H18N2O3/c1-3-21-15-11-10-14(12-16(15)22-4-2)18-19-17(20-23-18)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3
InChIKeyJPPIQETUUBNFCC-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.20
Rot. Bonds6

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

5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 3156036) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole
PubChem CID3156036
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2nc(-c3ccccc3)no2)cc1OCC
InChIInChI=1S/C18H18N2O3/c1-3-21-15-11-10-14(12-16(15)22-4-2)18-19-17(20-23-18)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3
InChIKeyJPPIQETUUBNFCC-UHFFFAOYSA-N
XLogP4.20
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole (CID 3156036) is 5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3ccccc3)no2)cc1OCC.
What is the InChIKey of 5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is JPPIQETUUBNFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-21-15-11-10-14(12-16(15)22-4-2)18-19-17(20-23-18)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3.
What are the key properties of 5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole?
5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 310.35 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 3156036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).