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

C12H10FN3O — CID 63851142

IUPAC5-[(5-fluoroindol-1-yl)methyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(Cn2ccc3cc(F)ccc32)n1
InChIInChI=1S/C12H10FN3O/c1-8-14-12(17-15-8)7-16-5-4-9-6-10(13)2-3-11(9)16/h2-6H,7H2,1H3
InChIKeyRMOSXDYFECOGEH-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.52
Rot. Bonds2

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

5-[(5-fluoroindol-1-yl)methyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 63851142) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is 5-[(5-fluoroindol-1-yl)methyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(5-fluoroindol-1-yl)methyl]-3-methyl-1,2,4-oxadiazole
PubChem CID63851142
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name5-[(5-fluoroindol-1-yl)methyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(Cn2ccc3cc(F)ccc32)n1
InChIInChI=1S/C12H10FN3O/c1-8-14-12(17-15-8)7-16-5-4-9-6-10(13)2-3-11(9)16/h2-6H,7H2,1H3
InChIKeyRMOSXDYFECOGEH-UHFFFAOYSA-N
XLogP2.52
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.52
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-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(5-fluoroindol-1-yl)methyl]-3-methyl-1,2,4-oxadiazole (CID 63851142) is 5-[(5-fluoroindol-1-yl)methyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(5-fluoroindol-1-yl)methyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(5-fluoroindol-1-yl)methyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(Cn2ccc3cc(F)ccc32)n1.
What is the InChIKey of 5-[(5-fluoroindol-1-yl)methyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is RMOSXDYFECOGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c1-8-14-12(17-15-8)7-16-5-4-9-6-10(13)2-3-11(9)16/h2-6H,7H2,1H3.
What are the key properties of 5-[(5-fluoroindol-1-yl)methyl]-3-methyl-1,2,4-oxadiazole?
5-[(5-fluoroindol-1-yl)methyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 231.23 g/mol, XLogP of 2.52, 2 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-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 63851142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).