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

C13H12FN3O — CID 63850802

IUPAC3-ethyl-5-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCc1noc(Cn2ccc3cc(F)ccc32)n1
InChIInChI=1S/C13H12FN3O/c1-2-12-15-13(18-16-12)8-17-6-5-9-7-10(14)3-4-11(9)17/h3-7H,2,8H2,1H3
InChIKeyCFRPVJMCZBCFPW-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.77
Rot. Bonds3

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

3-ethyl-5-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 63850802) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 3-ethyl-5-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID63850802
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name3-ethyl-5-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCc1noc(Cn2ccc3cc(F)ccc32)n1
InChIInChI=1S/C13H12FN3O/c1-2-12-15-13(18-16-12)8-17-6-5-9-7-10(14)3-4-11(9)17/h3-7H,2,8H2,1H3
InChIKeyCFRPVJMCZBCFPW-UHFFFAOYSA-N
XLogP2.77
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole (CID 63850802) is 3-ethyl-5-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole is CCc1noc(Cn2ccc3cc(F)ccc32)n1.
What is the InChIKey of 3-ethyl-5-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is CFRPVJMCZBCFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-2-12-15-13(18-16-12)8-17-6-5-9-7-10(14)3-4-11(9)17/h3-7H,2,8H2,1H3.
What are the key properties of 3-ethyl-5-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole?
3-ethyl-5-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 245.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(5-fluoroindol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 63850802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).