2-(3-methoxynaphthalen-2-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole

C20H16N2O3 — CID 712392

IUPAC2-(3-methoxynaphthalen-2-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole
SMILESCOc1cc2ccccc2cc1-c1nnc(COc2ccccc2)o1
InChIInChI=1S/C20H16N2O3/c1-23-18-12-15-8-6-5-7-14(15)11-17(18)20-22-21-19(25-20)13-24-16-9-3-2-4-10-16/h2-12H,13H2,1H3
InChIKeySBNWSDNMCWPQOP-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.48
Rot. Bonds5

About 2-(3-methoxynaphthalen-2-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole

2-(3-methoxynaphthalen-2-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole (PubChem CID 712392) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-(3-methoxynaphthalen-2-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-methoxynaphthalen-2-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole
PubChem CID712392
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name2-(3-methoxynaphthalen-2-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole
SMILESCOc1cc2ccccc2cc1-c1nnc(COc2ccccc2)o1
InChIInChI=1S/C20H16N2O3/c1-23-18-12-15-8-6-5-7-14(15)11-17(18)20-22-21-19(25-20)13-24-16-9-3-2-4-10-16/h2-12H,13H2,1H3
InChIKeySBNWSDNMCWPQOP-UHFFFAOYSA-N
XLogP4.48
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxynaphthalen-2-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-methoxynaphthalen-2-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole (CID 712392) is 2-(3-methoxynaphthalen-2-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-methoxynaphthalen-2-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-methoxynaphthalen-2-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole is COc1cc2ccccc2cc1-c1nnc(COc2ccccc2)o1.
What is the InChIKey of 2-(3-methoxynaphthalen-2-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole?
The InChIKey is SBNWSDNMCWPQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-23-18-12-15-8-6-5-7-14(15)11-17(18)20-22-21-19(25-20)13-24-16-9-3-2-4-10-16/h2-12H,13H2,1H3.
What are the key properties of 2-(3-methoxynaphthalen-2-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole?
2-(3-methoxynaphthalen-2-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole has a molecular weight of 332.36 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxynaphthalen-2-yl)-5-(phenoxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 712392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).