5-(2-methoxyethoxymethyl)-3-phenyl-1,2,4-oxadiazole

C12H14N2O3 — CID 91572495

IUPAC5-(2-methoxyethoxymethyl)-3-phenyl-1,2,4-oxadiazole
SMILESCOCCOCc1nc(-c2ccccc2)no1
InChIInChI=1S/C12H14N2O3/c1-15-7-8-16-9-11-13-12(14-17-11)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyPEKCIAWWKYCROZ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.90
Rot. Bonds6

About 5-(2-methoxyethoxymethyl)-3-phenyl-1,2,4-oxadiazole

5-(2-methoxyethoxymethyl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 91572495) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-(2-methoxyethoxymethyl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methoxyethoxymethyl)-3-phenyl-1,2,4-oxadiazole
PubChem CID91572495
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-(2-methoxyethoxymethyl)-3-phenyl-1,2,4-oxadiazole
SMILESCOCCOCc1nc(-c2ccccc2)no1
InChIInChI=1S/C12H14N2O3/c1-15-7-8-16-9-11-13-12(14-17-11)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyPEKCIAWWKYCROZ-UHFFFAOYSA-N
XLogP1.90
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.90
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 5-(2-methoxyethoxymethyl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methoxyethoxymethyl)-3-phenyl-1,2,4-oxadiazole (CID 91572495) is 5-(2-methoxyethoxymethyl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methoxyethoxymethyl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methoxyethoxymethyl)-3-phenyl-1,2,4-oxadiazole is COCCOCc1nc(-c2ccccc2)no1.
What is the InChIKey of 5-(2-methoxyethoxymethyl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is PEKCIAWWKYCROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-15-7-8-16-9-11-13-12(14-17-11)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3.
What are the key properties of 5-(2-methoxyethoxymethyl)-3-phenyl-1,2,4-oxadiazole?
5-(2-methoxyethoxymethyl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 234.25 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxymethyl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 91572495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).