3-(2-fluorophenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole

C13H11FN4O3 — CID 75527909

IUPAC3-(2-fluorophenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2nc(-c3ccccc3F)no2)n1
InChIInChI=1S/C13H11FN4O3/c1-19-7-6-10-15-12(20-17-10)13-16-11(18-21-13)8-4-2-3-5-9(8)14/h2-5H,6-7H2,1H3
InChIKeyWOZABOYFDSZILY-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.11
Rot. Bonds5

About 3-(2-fluorophenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole

3-(2-fluorophenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole (PubChem CID 75527909) has the molecular formula C13H11FN4O3 and a molecular weight of 290.25 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
PubChem CID75527909
Molecular FormulaC13H11FN4O3
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC Name3-(2-fluorophenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2nc(-c3ccccc3F)no2)n1
InChIInChI=1S/C13H11FN4O3/c1-19-7-6-10-15-12(20-17-10)13-16-11(18-21-13)8-4-2-3-5-9(8)14/h2-5H,6-7H2,1H3
InChIKeyWOZABOYFDSZILY-UHFFFAOYSA-N
XLogP2.11
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(2-fluorophenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 1419107
(3-Phenyl-1,2,4-oxadiazol-5-yl)methanol
CID 12569958
3-Cyclopropyl-3'-(2-fluorophenyl)-5,5'-bi-1,2,4-oxadiazole
CID 75527906
1,3-Bis(5-methyl-1,2,4-oxadiazol-3-yl)benzene
CID 890516
Ethyl 3-(2-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 25247831
Ethyl 3-phenyl-(1,2,4)oxadiazole-5-carboxylate
CID 6461838
3-(4-Chloro-3-fluorophenyl)-3'-methyl-5,5'-bi-1,2,4-oxadiazole
CID 75527900
3-Ethyl-3'-(2-fluorophenyl)-5,5'-bi-1,2,4-oxadiazole
CID 75527908
3-(2-Methoxyethyl)-3'-phenyl-5,5'-bi-1,2,4-oxadiazole
CID 75527940
3-Isopropyl-3'-(4-methylphenyl)-5,5'-bi-1,2,4-oxadiazole
CID 75527952
3-Ethyl-3'-(3-fluorophenyl)-5,5'-bi-1,2,4-oxadiazole
CID 75527958
5-(3-Benzyl-1,2,4-oxadiazol-5-YL)-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 91917199

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-fluorophenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole (CID 75527909) is 3-(2-fluorophenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-fluorophenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-fluorophenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole is COCCc1noc(-c2nc(-c3ccccc3F)no2)n1.
What is the InChIKey of 3-(2-fluorophenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is WOZABOYFDSZILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O3/c1-19-7-6-10-15-12(20-17-10)13-16-11(18-21-13)8-4-2-3-5-9(8)14/h2-5H,6-7H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole?
3-(2-fluorophenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 290.25 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 75527909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).