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

C21H15FN4O2 — CID 155810944

IUPAC[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)c2nc(-c3cn(C)c4ccc(F)cc34)no2)c2ccccc21
InChIInChI=1S/C21H15FN4O2/c1-25-10-15(13-5-3-4-6-17(13)25)19(27)21-23-20(24-28-21)16-11-26(2)18-8-7-12(22)9-14(16)18/h3-11H,1-2H3
InChIKeyJEHLDJWTDNJXBA-UHFFFAOYSA-N
MW374.38 g/mol
LogP4.09
Rot. Bonds3

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

[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylindol-3-yl)methanone (PubChem CID 155810944) has the molecular formula C21H15FN4O2 and a molecular weight of 374.38 g/mol. Its IUPAC name is [3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylindol-3-yl)methanone
PubChem CID155810944
Molecular FormulaC21H15FN4O2
Molecular Weight374.38 g/mol
Exact Mass374.12
IUPAC Name[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)c2nc(-c3cn(C)c4ccc(F)cc34)no2)c2ccccc21
InChIInChI=1S/C21H15FN4O2/c1-25-10-15(13-5-3-4-6-17(13)25)19(27)21-23-20(24-28-21)16-11-26(2)18-8-7-12(22)9-14(16)18/h3-11H,1-2H3
InChIKeyJEHLDJWTDNJXBA-UHFFFAOYSA-N
XLogP4.09
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylindol-3-yl)methanone?
The IUPAC name of [3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylindol-3-yl)methanone (CID 155810944) is [3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylindol-3-yl)methanone.
What is the SMILES notation for [3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylindol-3-yl)methanone?
The canonical SMILES for [3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylindol-3-yl)methanone is Cn1cc(C(=O)c2nc(-c3cn(C)c4ccc(F)cc34)no2)c2ccccc21.
What is the InChIKey of [3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylindol-3-yl)methanone?
The InChIKey is JEHLDJWTDNJXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O2/c1-25-10-15(13-5-3-4-6-17(13)25)19(27)21-23-20(24-28-21)16-11-26(2)18-8-7-12(22)9-14(16)18/h3-11H,1-2H3.
What are the key properties of [3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylindol-3-yl)methanone?
[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylindol-3-yl)methanone has a molecular weight of 374.38 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 155810944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).