5-(5-fluoro-1-methylindol-2-yl)-3-methyl-1,2,4-oxadiazole

C12H10FN3O — CID 131874849

IUPAC5-(5-fluoro-1-methylindol-2-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2cc3cc(F)ccc3n2C)n1
InChIInChI=1S/C12H10FN3O/c1-7-14-12(17-15-7)11-6-8-5-9(13)3-4-10(8)16(11)2/h3-6H,1-2H3
InChIKeyTYVNQILNYXGKFY-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.68
Rot. Bonds1

About 5-(5-fluoro-1-methylindol-2-yl)-3-methyl-1,2,4-oxadiazole

5-(5-fluoro-1-methylindol-2-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 131874849) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is 5-(5-fluoro-1-methylindol-2-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-fluoro-1-methylindol-2-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID131874849
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name5-(5-fluoro-1-methylindol-2-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2cc3cc(F)ccc3n2C)n1
InChIInChI=1S/C12H10FN3O/c1-7-14-12(17-15-7)11-6-8-5-9(13)3-4-10(8)16(11)2/h3-6H,1-2H3
InChIKeyTYVNQILNYXGKFY-UHFFFAOYSA-N
XLogP2.68
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1-methylindol-2-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(5-fluoro-1-methylindol-2-yl)-3-methyl-1,2,4-oxadiazole (CID 131874849) is 5-(5-fluoro-1-methylindol-2-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-fluoro-1-methylindol-2-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-fluoro-1-methylindol-2-yl)-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2cc3cc(F)ccc3n2C)n1.
What is the InChIKey of 5-(5-fluoro-1-methylindol-2-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is TYVNQILNYXGKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c1-7-14-12(17-15-7)11-6-8-5-9(13)3-4-10(8)16(11)2/h3-6H,1-2H3.
What are the key properties of 5-(5-fluoro-1-methylindol-2-yl)-3-methyl-1,2,4-oxadiazole?
5-(5-fluoro-1-methylindol-2-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 231.23 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-1-methylindol-2-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 131874849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).