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

C20H12F2N4O2 — CID 162395392

IUPAC[3-(5-fluoro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-fluoro-1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)c2nc(-c3c[nH]c4ccc(F)cc34)no2)c2cc(F)ccc21
InChIInChI=1S/C20H12F2N4O2/c1-26-9-15(13-7-11(22)3-5-17(13)26)18(27)20-24-19(25-28-20)14-8-23-16-4-2-10(21)6-12(14)16/h2-9,23H,1H3
InChIKeyQVFIMVMDFHFFMF-UHFFFAOYSA-N
MW378.34 g/mol
LogP4.22
Rot. Bonds3

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

[3-(5-fluoro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-fluoro-1-methylindol-3-yl)methanone (PubChem CID 162395392) has the molecular formula C20H12F2N4O2 and a molecular weight of 378.34 g/mol. Its IUPAC name is [3-(5-fluoro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-fluoro-1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name[3-(5-fluoro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-fluoro-1-methylindol-3-yl)methanone
PubChem CID162395392
Molecular FormulaC20H12F2N4O2
Molecular Weight378.34 g/mol
Exact Mass378.09
IUPAC Name[3-(5-fluoro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-fluoro-1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)c2nc(-c3c[nH]c4ccc(F)cc34)no2)c2cc(F)ccc21
InChIInChI=1S/C20H12F2N4O2/c1-26-9-15(13-7-11(22)3-5-17(13)26)18(27)20-24-19(25-28-20)14-8-23-16-4-2-10(21)6-12(14)16/h2-9,23H,1H3
InChIKeyQVFIMVMDFHFFMF-UHFFFAOYSA-N
XLogP4.22
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-fluoro-1-methylindol-3-yl)methanone?
The IUPAC name of [3-(5-fluoro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-fluoro-1-methylindol-3-yl)methanone (CID 162395392) is [3-(5-fluoro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-fluoro-1-methylindol-3-yl)methanone.
What is the SMILES notation for [3-(5-fluoro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-fluoro-1-methylindol-3-yl)methanone?
The canonical SMILES for [3-(5-fluoro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-fluoro-1-methylindol-3-yl)methanone is Cn1cc(C(=O)c2nc(-c3c[nH]c4ccc(F)cc34)no2)c2cc(F)ccc21.
What is the InChIKey of [3-(5-fluoro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-fluoro-1-methylindol-3-yl)methanone?
The InChIKey is QVFIMVMDFHFFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N4O2/c1-26-9-15(13-7-11(22)3-5-17(13)26)18(27)20-24-19(25-28-20)14-8-23-16-4-2-10(21)6-12(14)16/h2-9,23H,1H3.
What are the key properties of [3-(5-fluoro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-fluoro-1-methylindol-3-yl)methanone?
[3-(5-fluoro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-fluoro-1-methylindol-3-yl)methanone has a molecular weight of 378.34 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-fluoro-1-methylindol-3-yl)methanone is sourced from PubChem (CID 162395392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).