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

C22H20N2O5 — CID 1326251

IUPAC2-(naphthalen-2-yloxymethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(COc3ccc4ccccc4c3)o2)cc(OC)c1OC
InChIInChI=1S/C22H20N2O5/c1-25-18-11-16(12-19(26-2)21(18)27-3)22-24-23-20(29-22)13-28-17-9-8-14-6-4-5-7-15(14)10-17/h4-12H,13H2,1-3H3
InChIKeyYQSZNXNIMNYRPT-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.49
Rot. Bonds7

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

2-(naphthalen-2-yloxymethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (PubChem CID 1326251) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-(naphthalen-2-yloxymethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(naphthalen-2-yloxymethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
PubChem CID1326251
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name2-(naphthalen-2-yloxymethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(COc3ccc4ccccc4c3)o2)cc(OC)c1OC
InChIInChI=1S/C22H20N2O5/c1-25-18-11-16(12-19(26-2)21(18)27-3)22-24-23-20(29-22)13-28-17-9-8-14-6-4-5-7-15(14)10-17/h4-12H,13H2,1-3H3
InChIKeyYQSZNXNIMNYRPT-UHFFFAOYSA-N
XLogP4.49
TPSA75.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-yloxymethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(naphthalen-2-yloxymethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (CID 1326251) is 2-(naphthalen-2-yloxymethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(naphthalen-2-yloxymethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(naphthalen-2-yloxymethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is COc1cc(-c2nnc(COc3ccc4ccccc4c3)o2)cc(OC)c1OC.
What is the InChIKey of 2-(naphthalen-2-yloxymethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is YQSZNXNIMNYRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-25-18-11-16(12-19(26-2)21(18)27-3)22-24-23-20(29-22)13-28-17-9-8-14-6-4-5-7-15(14)10-17/h4-12H,13H2,1-3H3.
What are the key properties of 2-(naphthalen-2-yloxymethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
2-(naphthalen-2-yloxymethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 392.41 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-yloxymethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 1326251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).