5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole

C17H12FN3O — CID 155511611

IUPAC5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
SMILESFc1ccccc1-c1nc(Cc2c[nH]c3ccccc23)no1
InChIInChI=1S/C17H12FN3O/c18-14-7-3-1-6-13(14)17-20-16(21-22-17)9-11-10-19-15-8-4-2-5-12(11)15/h1-8,10,19H,9H2
InChIKeyWTMNFZJNCZEMDY-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.95
Rot. Bonds3

About 5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole

5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 155511611) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID155511611
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC Name5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
SMILESFc1ccccc1-c1nc(Cc2c[nH]c3ccccc23)no1
InChIInChI=1S/C17H12FN3O/c18-14-7-3-1-6-13(14)17-20-16(21-22-17)9-11-10-19-15-8-4-2-5-12(11)15/h1-8,10,19H,9H2
InChIKeyWTMNFZJNCZEMDY-UHFFFAOYSA-N
XLogP3.95
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole (CID 155511611) is 5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole is Fc1ccccc1-c1nc(Cc2c[nH]c3ccccc23)no1.
What is the InChIKey of 5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is WTMNFZJNCZEMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O/c18-14-7-3-1-6-13(14)17-20-16(21-22-17)9-11-10-19-15-8-4-2-5-12(11)15/h1-8,10,19H,9H2.
What are the key properties of 5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 293.30 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 155511611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).