2-(3,4-dimethoxyphenyl)-5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazole

C21H18N2O4 — CID 2294488

IUPAC2-(3,4-dimethoxyphenyl)-5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(COc3ccc4ccccc4c3)o2)cc1OC
InChIInChI=1S/C21H18N2O4/c1-24-18-10-8-16(12-19(18)25-2)21-23-22-20(27-21)13-26-17-9-7-14-5-3-4-6-15(14)11-17/h3-12H,13H2,1-2H3
InChIKeyKUKMFSKXMCRUCL-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.49
Rot. Bonds6

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

2-(3,4-dimethoxyphenyl)-5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazole (PubChem CID 2294488) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazole
PubChem CID2294488
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name2-(3,4-dimethoxyphenyl)-5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(COc3ccc4ccccc4c3)o2)cc1OC
InChIInChI=1S/C21H18N2O4/c1-24-18-10-8-16(12-19(18)25-2)21-23-22-20(27-21)13-26-17-9-7-14-5-3-4-6-15(14)11-17/h3-12H,13H2,1-2H3
InChIKeyKUKMFSKXMCRUCL-UHFFFAOYSA-N
XLogP4.49
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazole (CID 2294488) is 2-(3,4-dimethoxyphenyl)-5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(COc3ccc4ccccc4c3)o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazole?
The InChIKey is KUKMFSKXMCRUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-24-18-10-8-16(12-19(18)25-2)21-23-22-20(27-21)13-26-17-9-7-14-5-3-4-6-15(14)11-17/h3-12H,13H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazole?
2-(3,4-dimethoxyphenyl)-5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazole has a molecular weight of 362.39 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 2294488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).