2-[1-(4-phenylphenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

C20H16N2O2S — CID 4855216

IUPAC2-[1-(4-phenylphenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCC(Oc1ccc(-c2ccccc2)cc1)c1nnc(-c2cccs2)o1
InChIInChI=1S/C20H16N2O2S/c1-14(19-21-22-20(24-19)18-8-5-13-25-18)23-17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-14H,1H3
InChIKeyKNLZILPFVISIRL-UHFFFAOYSA-N
MW348.43 g/mol
LogP5.61
Rot. Bonds5

About 2-[1-(4-phenylphenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[1-(4-phenylphenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 4855216) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[1-(4-phenylphenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-phenylphenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID4855216
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name2-[1-(4-phenylphenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCC(Oc1ccc(-c2ccccc2)cc1)c1nnc(-c2cccs2)o1
InChIInChI=1S/C20H16N2O2S/c1-14(19-21-22-20(24-19)18-8-5-13-25-18)23-17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-14H,1H3
InChIKeyKNLZILPFVISIRL-UHFFFAOYSA-N
XLogP5.61
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.43
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-phenylphenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-phenylphenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 4855216) is 2-[1-(4-phenylphenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-phenylphenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-phenylphenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is CC(Oc1ccc(-c2ccccc2)cc1)c1nnc(-c2cccs2)o1.
What is the InChIKey of 2-[1-(4-phenylphenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is KNLZILPFVISIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-14(19-21-22-20(24-19)18-8-5-13-25-18)23-17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-14H,1H3.
What are the key properties of 2-[1-(4-phenylphenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[1-(4-phenylphenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 348.43 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-phenylphenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 4855216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).