[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 5-bromo-1H-indole-3-carboxylate

C18H11BrFN3O3 — CID 55449907

IUPAC[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 5-bromo-1H-indole-3-carboxylate
SMILESO=C(OCc1noc(-c2ccc(F)cc2)n1)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C18H11BrFN3O3/c19-11-3-6-15-13(7-11)14(8-21-15)18(24)25-9-16-22-17(26-23-16)10-1-4-12(20)5-2-10/h1-8,21H,9H2
InChIKeyIWWNGXNMKFJGLU-UHFFFAOYSA-N
MW416.21 g/mol
LogP4.48
Rot. Bonds4

About [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 5-bromo-1H-indole-3-carboxylate

[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 5-bromo-1H-indole-3-carboxylate (PubChem CID 55449907) has the molecular formula C18H11BrFN3O3 and a molecular weight of 416.21 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 5-bromo-1H-indole-3-carboxylate.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 5-bromo-1H-indole-3-carboxylate
PubChem CID55449907
Molecular FormulaC18H11BrFN3O3
Molecular Weight416.21 g/mol
Exact Mass415.00
IUPAC Name[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 5-bromo-1H-indole-3-carboxylate
SMILESO=C(OCc1noc(-c2ccc(F)cc2)n1)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C18H11BrFN3O3/c19-11-3-6-15-13(7-11)14(8-21-15)18(24)25-9-16-22-17(26-23-16)10-1-4-12(20)5-2-10/h1-8,21H,9H2
InChIKeyIWWNGXNMKFJGLU-UHFFFAOYSA-N
XLogP4.48
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.21
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(methylamino)benzoate
CID 55449116
[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 4-methyl-1,3-thiazole-5-carboxylate
CID 55999690
[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 2-[methyl(thiophene-2-carbonyl)amino]benzoate
CID 55496260
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate
CID 55450272
5-bromo-1H-indole-3-carbohydrazide
CID 156904296
methyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 38901917
(2-oxo-2-piperidin-1-ylethyl) 5-bromo-1H-indole-3-carboxylate
CID 55443248
2-amino-1-(5-bromo-1H-indol-3-yl)butan-1-one
CID 162765729
[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 55935692
1-(5-bromo-1H-indol-3-yl)prop-2-en-1-one
CID 103522496
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 5-bromo-1H-indole-3-carboxylate?
The IUPAC name of [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 5-bromo-1H-indole-3-carboxylate (CID 55449907) is [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 5-bromo-1H-indole-3-carboxylate.
What is the SMILES notation for [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 5-bromo-1H-indole-3-carboxylate?
The canonical SMILES for [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 5-bromo-1H-indole-3-carboxylate is O=C(OCc1noc(-c2ccc(F)cc2)n1)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 5-bromo-1H-indole-3-carboxylate?
The InChIKey is IWWNGXNMKFJGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrFN3O3/c19-11-3-6-15-13(7-11)14(8-21-15)18(24)25-9-16-22-17(26-23-16)10-1-4-12(20)5-2-10/h1-8,21H,9H2.
What are the key properties of [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 5-bromo-1H-indole-3-carboxylate?
[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 5-bromo-1H-indole-3-carboxylate has a molecular weight of 416.21 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 5-bromo-1H-indole-3-carboxylate is sourced from PubChem (CID 55449907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).