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

C21H18N4O5 — CID 27535184

IUPAC[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 1H-indole-3-carboxylate
SMILESCOc1ccccc1NC(=O)Cc1noc(COC(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C21H18N4O5/c1-28-17-9-5-4-8-16(17)23-19(26)10-18-24-20(30-25-18)12-29-21(27)14-11-22-15-7-3-2-6-13(14)15/h2-9,11,22H,10,12H2,1H3,(H,23,26)
InChIKeyUWPJKRKBAYTUKQ-UHFFFAOYSA-N
MW406.40 g/mol
LogP3.10
Rot. Bonds7

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

[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 1H-indole-3-carboxylate (PubChem CID 27535184) has the molecular formula C21H18N4O5 and a molecular weight of 406.40 g/mol. Its IUPAC name is [3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 1H-indole-3-carboxylate
PubChem CID27535184
Molecular FormulaC21H18N4O5
Molecular Weight406.40 g/mol
Exact Mass406.13
IUPAC Name[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 1H-indole-3-carboxylate
SMILESCOc1ccccc1NC(=O)Cc1noc(COC(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C21H18N4O5/c1-28-17-9-5-4-8-16(17)23-19(26)10-18-24-20(30-25-18)12-29-21(27)14-11-22-15-7-3-2-6-13(14)15/h2-9,11,22H,10,12H2,1H3,(H,23,26)
InChIKeyUWPJKRKBAYTUKQ-UHFFFAOYSA-N
XLogP3.10
TPSA119.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 1H-indole-3-carboxylate with MolForge

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Related Compounds

[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 2-methoxy-4-methylsulfanylbenzoate
CID 2450914
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 4-amino-5-chloro-2-methoxybenzoate
CID 16578280
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 2-methylbutanoate
CID 46519923
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 30125309
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 30507124
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 1-(4-chlorophenyl)-5-methylpyrazole-4-carboxylate
CID 43043772
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1H-indole-3-carboxylate
CID 8607712
(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-phenylacetyl)amino]benzoate
CID 55540086
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 42978704
2-[5-(azepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 27100650
2-[5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 2497203
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492820

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 1H-indole-3-carboxylate?
The IUPAC name of [3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 1H-indole-3-carboxylate (CID 27535184) is [3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 1H-indole-3-carboxylate.
What is the SMILES notation for [3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 1H-indole-3-carboxylate?
The canonical SMILES for [3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 1H-indole-3-carboxylate is COc1ccccc1NC(=O)Cc1noc(COC(=O)c2c[nH]c3ccccc23)n1.
What is the InChIKey of [3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 1H-indole-3-carboxylate?
The InChIKey is UWPJKRKBAYTUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O5/c1-28-17-9-5-4-8-16(17)23-19(26)10-18-24-20(30-25-18)12-29-21(27)14-11-22-15-7-3-2-6-13(14)15/h2-9,11,22H,10,12H2,1H3,(H,23,26).
What are the key properties of [3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 1H-indole-3-carboxylate?
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 1H-indole-3-carboxylate has a molecular weight of 406.40 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 1H-indole-3-carboxylate is sourced from PubChem (CID 27535184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).