5-(diethoxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole

C14H17FN2O3 — CID 63771999

IUPAC5-(diethoxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESCCOC(OCC)c1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C14H17FN2O3/c1-3-18-14(19-4-2)13-16-12(17-20-13)9-10-6-5-7-11(15)8-10/h5-8,14H,3-4,9H2,1-2H3
InChIKeyBGUVJROMBBSJKC-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.87
Rot. Bonds7

About 5-(diethoxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole

5-(diethoxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 63771999) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 5-(diethoxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(diethoxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID63771999
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name5-(diethoxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESCCOC(OCC)c1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C14H17FN2O3/c1-3-18-14(19-4-2)13-16-12(17-20-13)9-10-6-5-7-11(15)8-10/h5-8,14H,3-4,9H2,1-2H3
InChIKeyBGUVJROMBBSJKC-UHFFFAOYSA-N
XLogP2.87
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-(diethoxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(diethoxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(diethoxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole (CID 63771999) is 5-(diethoxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(diethoxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(diethoxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole is CCOC(OCC)c1nc(Cc2cccc(F)c2)no1.
What is the InChIKey of 5-(diethoxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is BGUVJROMBBSJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-3-18-14(19-4-2)13-16-12(17-20-13)9-10-6-5-7-11(15)8-10/h5-8,14H,3-4,9H2,1-2H3.
What are the key properties of 5-(diethoxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole?
5-(diethoxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 280.30 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethoxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 63771999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).