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

C17H10F2N4O2 — CID 595983

IUPAC2-(4-fluorophenyl)-5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(Cc3nnc(-c4ccc(F)cc4)o3)o2)cc1
InChIInChI=1S/C17H10F2N4O2/c18-12-5-1-10(2-6-12)16-22-20-14(24-16)9-15-21-23-17(25-15)11-3-7-13(19)8-4-11/h1-8H,9H2
InChIKeyKDUNJPRDUFMZBG-UHFFFAOYSA-N
MW340.29 g/mol
LogP3.66
Rot. Bonds4

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

2-(4-fluorophenyl)-5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3,4-oxadiazole (PubChem CID 595983) has the molecular formula C17H10F2N4O2 and a molecular weight of 340.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3,4-oxadiazole
PubChem CID595983
Molecular FormulaC17H10F2N4O2
Molecular Weight340.29 g/mol
Exact Mass340.08
IUPAC Name2-(4-fluorophenyl)-5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(Cc3nnc(-c4ccc(F)cc4)o3)o2)cc1
InChIInChI=1S/C17H10F2N4O2/c18-12-5-1-10(2-6-12)16-22-20-14(24-16)9-15-21-23-17(25-15)11-3-7-13(19)8-4-11/h1-8H,9H2
InChIKeyKDUNJPRDUFMZBG-UHFFFAOYSA-N
XLogP3.66
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3,4-oxadiazole (CID 595983) is 2-(4-fluorophenyl)-5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3,4-oxadiazole is Fc1ccc(-c2nnc(Cc3nnc(-c4ccc(F)cc4)o3)o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is KDUNJPRDUFMZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N4O2/c18-12-5-1-10(2-6-12)16-22-20-14(24-16)9-15-21-23-17(25-15)11-3-7-13(19)8-4-11/h1-8H,9H2.
What are the key properties of 2-(4-fluorophenyl)-5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 340.29 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 595983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).