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

C18H13FN4O2 — CID 154805826

IUPAC2-(2-fluorophenyl)-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc(CCc2nc(-c3ccccc3)no2)o1
InChIInChI=1S/C18H13FN4O2/c19-14-9-5-4-8-13(14)18-22-21-16(24-18)11-10-15-20-17(23-25-15)12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyRLAAHNOBSJDHCG-UHFFFAOYSA-N
MW336.33 g/mol
LogP3.71
Rot. Bonds5

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

2-(2-fluorophenyl)-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazole (PubChem CID 154805826) has the molecular formula C18H13FN4O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazole
PubChem CID154805826
Molecular FormulaC18H13FN4O2
Molecular Weight336.33 g/mol
Exact Mass336.10
IUPAC Name2-(2-fluorophenyl)-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc(CCc2nc(-c3ccccc3)no2)o1
InChIInChI=1S/C18H13FN4O2/c19-14-9-5-4-8-13(14)18-22-21-16(24-18)11-10-15-20-17(23-25-15)12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyRLAAHNOBSJDHCG-UHFFFAOYSA-N
XLogP3.71
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-fluorophenyl)-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazole (CID 154805826) is 2-(2-fluorophenyl)-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-fluorophenyl)-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-fluorophenyl)-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazole is Fc1ccccc1-c1nnc(CCc2nc(-c3ccccc3)no2)o1.
What is the InChIKey of 2-(2-fluorophenyl)-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazole?
The InChIKey is RLAAHNOBSJDHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2/c19-14-9-5-4-8-13(14)18-22-21-16(24-18)11-10-15-20-17(23-25-15)12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 2-(2-fluorophenyl)-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazole?
2-(2-fluorophenyl)-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazole has a molecular weight of 336.33 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 154805826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).