2-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole

C25H20FN3O — CID 138674335

IUPAC2-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole
SMILESFc1ccccc1-c1ccc(CCCc2nnc(-c3ccc4[nH]ccc4c3)o2)cc1
InChIInChI=1S/C25H20FN3O/c26-22-6-2-1-5-21(22)18-10-8-17(9-11-18)4-3-7-24-28-29-25(30-24)20-12-13-23-19(16-20)14-15-27-23/h1-2,5-6,8-16,27H,3-4,7H2
InChIKeyKZYCPTBGWUTMBY-UHFFFAOYSA-N
MW397.45 g/mol
LogP6.20
Rot. Bonds6

About 2-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole

2-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole (PubChem CID 138674335) has the molecular formula C25H20FN3O and a molecular weight of 397.45 g/mol. Its IUPAC name is 2-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole
PubChem CID138674335
Molecular FormulaC25H20FN3O
Molecular Weight397.45 g/mol
Exact Mass397.16
IUPAC Name2-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole
SMILESFc1ccccc1-c1ccc(CCCc2nnc(-c3ccc4[nH]ccc4c3)o2)cc1
InChIInChI=1S/C25H20FN3O/c26-22-6-2-1-5-21(22)18-10-8-17(9-11-18)4-3-7-24-28-29-25(30-24)20-12-13-23-19(16-20)14-15-27-23/h1-2,5-6,8-16,27H,3-4,7H2
InChIKeyKZYCPTBGWUTMBY-UHFFFAOYSA-N
XLogP6.20
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.45
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole (CID 138674335) is 2-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole is Fc1ccccc1-c1ccc(CCCc2nnc(-c3ccc4[nH]ccc4c3)o2)cc1.
What is the InChIKey of 2-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole?
The InChIKey is KZYCPTBGWUTMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O/c26-22-6-2-1-5-21(22)18-10-8-17(9-11-18)4-3-7-24-28-29-25(30-24)20-12-13-23-19(16-20)14-15-27-23/h1-2,5-6,8-16,27H,3-4,7H2.
What are the key properties of 2-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole?
2-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole has a molecular weight of 397.45 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 138674335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).