(5-fluoro-1-methylindol-3-yl)-[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone

C21H14F2N4O2 — CID 155806217

IUPAC(5-fluoro-1-methylindol-3-yl)-[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone
SMILESCn1cc(C(=O)c2nc(-c3cn(C)c4ccc(F)cc34)no2)c2cc(F)ccc21
InChIInChI=1S/C21H14F2N4O2/c1-26-9-15(13-7-11(22)3-5-17(13)26)19(28)21-24-20(25-29-21)16-10-27(2)18-6-4-12(23)8-14(16)18/h3-10H,1-2H3
InChIKeyYXVTVROSAPMPRY-UHFFFAOYSA-N
MW392.37 g/mol
LogP4.23
Rot. Bonds3

About (5-fluoro-1-methylindol-3-yl)-[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone

(5-fluoro-1-methylindol-3-yl)-[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone (PubChem CID 155806217) has the molecular formula C21H14F2N4O2 and a molecular weight of 392.37 g/mol. Its IUPAC name is (5-fluoro-1-methylindol-3-yl)-[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1-methylindol-3-yl)-[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone
PubChem CID155806217
Molecular FormulaC21H14F2N4O2
Molecular Weight392.37 g/mol
Exact Mass392.11
IUPAC Name(5-fluoro-1-methylindol-3-yl)-[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone
SMILESCn1cc(C(=O)c2nc(-c3cn(C)c4ccc(F)cc34)no2)c2cc(F)ccc21
InChIInChI=1S/C21H14F2N4O2/c1-26-9-15(13-7-11(22)3-5-17(13)26)19(28)21-24-20(25-29-21)16-10-27(2)18-6-4-12(23)8-14(16)18/h3-10H,1-2H3
InChIKeyYXVTVROSAPMPRY-UHFFFAOYSA-N
XLogP4.23
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-methylindol-3-yl)-[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone?
The IUPAC name of (5-fluoro-1-methylindol-3-yl)-[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone (CID 155806217) is (5-fluoro-1-methylindol-3-yl)-[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone.
What is the SMILES notation for (5-fluoro-1-methylindol-3-yl)-[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone?
The canonical SMILES for (5-fluoro-1-methylindol-3-yl)-[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone is Cn1cc(C(=O)c2nc(-c3cn(C)c4ccc(F)cc34)no2)c2cc(F)ccc21.
What is the InChIKey of (5-fluoro-1-methylindol-3-yl)-[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone?
The InChIKey is YXVTVROSAPMPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O2/c1-26-9-15(13-7-11(22)3-5-17(13)26)19(28)21-24-20(25-29-21)16-10-27(2)18-6-4-12(23)8-14(16)18/h3-10H,1-2H3.
What are the key properties of (5-fluoro-1-methylindol-3-yl)-[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone?
(5-fluoro-1-methylindol-3-yl)-[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone has a molecular weight of 392.37 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-methylindol-3-yl)-[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone is sourced from PubChem (CID 155806217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).