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

C14H14FN3O — CID 63851487

IUPAC5-[(5-fluoroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(Cn2ccc3cc(F)ccc32)n1
InChIInChI=1S/C14H14FN3O/c1-9(2)14-16-13(19-17-14)8-18-6-5-10-7-11(15)3-4-12(10)18/h3-7,9H,8H2,1-2H3
InChIKeyWDSHOWUUXURHJH-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.34
Rot. Bonds3

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

5-[(5-fluoroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 63851487) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 5-[(5-fluoroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(5-fluoroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID63851487
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name5-[(5-fluoroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(Cn2ccc3cc(F)ccc32)n1
InChIInChI=1S/C14H14FN3O/c1-9(2)14-16-13(19-17-14)8-18-6-5-10-7-11(15)3-4-12(10)18/h3-7,9H,8H2,1-2H3
InChIKeyWDSHOWUUXURHJH-UHFFFAOYSA-N
XLogP3.34
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(5-fluoroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 63851487) is 5-[(5-fluoroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(5-fluoroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(5-fluoroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(Cn2ccc3cc(F)ccc32)n1.
What is the InChIKey of 5-[(5-fluoroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is WDSHOWUUXURHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-9(2)14-16-13(19-17-14)8-18-6-5-10-7-11(15)3-4-12(10)18/h3-7,9H,8H2,1-2H3.
What are the key properties of 5-[(5-fluoroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(5-fluoroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 259.28 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoroindol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63851487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).