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

C11H8FN3O — CID 63851831

IUPAC3-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole
SMILESFc1ccc2c(ccn2Cc2ncon2)c1
InChIInChI=1S/C11H8FN3O/c12-9-1-2-10-8(5-9)3-4-15(10)6-11-13-7-16-14-11/h1-5,7H,6H2
InChIKeyXKTZQKFAMXIJEO-UHFFFAOYSA-N
MW217.20 g/mol
LogP2.21
Rot. Bonds2

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

3-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 63851831) has the molecular formula C11H8FN3O and a molecular weight of 217.20 g/mol. Its IUPAC name is 3-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID63851831
Molecular FormulaC11H8FN3O
Molecular Weight217.20 g/mol
Exact Mass217.07
IUPAC Name3-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole
SMILESFc1ccc2c(ccn2Cc2ncon2)c1
InChIInChI=1S/C11H8FN3O/c12-9-1-2-10-8(5-9)3-4-15(10)6-11-13-7-16-14-11/h1-5,7H,6H2
InChIKeyXKTZQKFAMXIJEO-UHFFFAOYSA-N
XLogP2.21
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Trimethyl-[[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]azanium iodide
CID 9978162
3-(1-Methylindol-3-yl)-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole
CID 9818162
N,N-dimethyl-1-[3-(1-methyl-3-indolyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 9921349
[3-(1-Methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 14810832
N-methyl-1-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 14810842
2-[3-(1-Methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 14810844
N-methyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 14810846
N,N-dimethyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 14810848
N,N-dimethyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 14810794
1-(4-Fluorophenyl)-2-(imidazol-1-ylmethyl)indole
CID 71568307
US10660877, Example 735
CID 134329843
3-[(3-Phenylindazol-1-yl)methyl]-1,2,4-oxadiazole
CID 73504346

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole (CID 63851831) is 3-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole is Fc1ccc2c(ccn2Cc2ncon2)c1.
What is the InChIKey of 3-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is XKTZQKFAMXIJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O/c12-9-1-2-10-8(5-9)3-4-15(10)6-11-13-7-16-14-11/h1-5,7H,6H2.
What are the key properties of 3-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole?
3-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 217.20 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 63851831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).