2-[2-(2-methoxyphenyl)ethyl]-5-(oxan-3-yl)-1,3,4-oxadiazole

C16H20N2O3 — CID 167743789

IUPAC2-[2-(2-methoxyphenyl)ethyl]-5-(oxan-3-yl)-1,3,4-oxadiazole
SMILESCOc1ccccc1CCc1nnc(C2CCCOC2)o1
InChIInChI=1S/C16H20N2O3/c1-19-14-7-3-2-5-12(14)8-9-15-17-18-16(21-15)13-6-4-10-20-11-13/h2-3,5,7,13H,4,6,8-11H2,1H3
InChIKeyWDQRHVLAIJWYEU-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.76
Rot. Bonds5

About 2-[2-(2-methoxyphenyl)ethyl]-5-(oxan-3-yl)-1,3,4-oxadiazole

2-[2-(2-methoxyphenyl)ethyl]-5-(oxan-3-yl)-1,3,4-oxadiazole (PubChem CID 167743789) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)ethyl]-5-(oxan-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)ethyl]-5-(oxan-3-yl)-1,3,4-oxadiazole
PubChem CID167743789
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[2-(2-methoxyphenyl)ethyl]-5-(oxan-3-yl)-1,3,4-oxadiazole
SMILESCOc1ccccc1CCc1nnc(C2CCCOC2)o1
InChIInChI=1S/C16H20N2O3/c1-19-14-7-3-2-5-12(14)8-9-15-17-18-16(21-15)13-6-4-10-20-11-13/h2-3,5,7,13H,4,6,8-11H2,1H3
InChIKeyWDQRHVLAIJWYEU-UHFFFAOYSA-N
XLogP2.76
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)ethyl]-5-(oxan-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(2-methoxyphenyl)ethyl]-5-(oxan-3-yl)-1,3,4-oxadiazole (CID 167743789) is 2-[2-(2-methoxyphenyl)ethyl]-5-(oxan-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)ethyl]-5-(oxan-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(2-methoxyphenyl)ethyl]-5-(oxan-3-yl)-1,3,4-oxadiazole is COc1ccccc1CCc1nnc(C2CCCOC2)o1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)ethyl]-5-(oxan-3-yl)-1,3,4-oxadiazole?
The InChIKey is WDQRHVLAIJWYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-19-14-7-3-2-5-12(14)8-9-15-17-18-16(21-15)13-6-4-10-20-11-13/h2-3,5,7,13H,4,6,8-11H2,1H3.
What are the key properties of 2-[2-(2-methoxyphenyl)ethyl]-5-(oxan-3-yl)-1,3,4-oxadiazole?
2-[2-(2-methoxyphenyl)ethyl]-5-(oxan-3-yl)-1,3,4-oxadiazole has a molecular weight of 288.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)ethyl]-5-(oxan-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 167743789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).