2-[2-(2-phenoxyethoxy)phenyl]-1,3,4-oxadiazole

C16H14N2O3 — CID 2408758

IUPAC2-[2-(2-phenoxyethoxy)phenyl]-1,3,4-oxadiazole
SMILESc1ccc(OCCOc2ccccc2-c2nnco2)cc1
InChIInChI=1S/C16H14N2O3/c1-2-6-13(7-3-1)19-10-11-20-15-9-5-4-8-14(15)16-18-17-12-21-16/h1-9,12H,10-11H2
InChIKeyYIGZEUXJGZXXNT-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.19
Rot. Bonds6

About 2-[2-(2-phenoxyethoxy)phenyl]-1,3,4-oxadiazole

2-[2-(2-phenoxyethoxy)phenyl]-1,3,4-oxadiazole (PubChem CID 2408758) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[2-(2-phenoxyethoxy)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(2-phenoxyethoxy)phenyl]-1,3,4-oxadiazole
PubChem CID2408758
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-[2-(2-phenoxyethoxy)phenyl]-1,3,4-oxadiazole
SMILESc1ccc(OCCOc2ccccc2-c2nnco2)cc1
InChIInChI=1S/C16H14N2O3/c1-2-6-13(7-3-1)19-10-11-20-15-9-5-4-8-14(15)16-18-17-12-21-16/h1-9,12H,10-11H2
InChIKeyYIGZEUXJGZXXNT-UHFFFAOYSA-N
XLogP3.19
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenoxyethoxy)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(2-phenoxyethoxy)phenyl]-1,3,4-oxadiazole (CID 2408758) is 2-[2-(2-phenoxyethoxy)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(2-phenoxyethoxy)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(2-phenoxyethoxy)phenyl]-1,3,4-oxadiazole is c1ccc(OCCOc2ccccc2-c2nnco2)cc1.
What is the InChIKey of 2-[2-(2-phenoxyethoxy)phenyl]-1,3,4-oxadiazole?
The InChIKey is YIGZEUXJGZXXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-2-6-13(7-3-1)19-10-11-20-15-9-5-4-8-14(15)16-18-17-12-21-16/h1-9,12H,10-11H2.
What are the key properties of 2-[2-(2-phenoxyethoxy)phenyl]-1,3,4-oxadiazole?
2-[2-(2-phenoxyethoxy)phenyl]-1,3,4-oxadiazole has a molecular weight of 282.30 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenoxyethoxy)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2408758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).