2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid

C19H13N3O5 — CID 56770475

IUPAC2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2nc(-c3ccc4c(c3)OCO4)no2)cc2ccccc21
InChIInChI=1S/C19H13N3O5/c23-17(24)9-22-13-4-2-1-3-11(13)7-14(22)19-20-18(21-27-19)12-5-6-15-16(8-12)26-10-25-15/h1-8H,9-10H2,(H,23,24)
InChIKeyVLZWAYULENSCCD-UHFFFAOYSA-N
MW363.33 g/mol
LogP3.17
Rot. Bonds4

About 2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid

2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid (PubChem CID 56770475) has the molecular formula C19H13N3O5 and a molecular weight of 363.33 g/mol. Its IUPAC name is 2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid
PubChem CID56770475
Molecular FormulaC19H13N3O5
Molecular Weight363.33 g/mol
Exact Mass363.09
IUPAC Name2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2nc(-c3ccc4c(c3)OCO4)no2)cc2ccccc21
InChIInChI=1S/C19H13N3O5/c23-17(24)9-22-13-4-2-1-3-11(13)7-14(22)19-20-18(21-27-19)12-5-6-15-16(8-12)26-10-25-15/h1-8H,9-10H2,(H,23,24)
InChIKeyVLZWAYULENSCCD-UHFFFAOYSA-N
XLogP3.17
TPSA99.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid with MolForge

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Related Compounds

2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid
CID 56770586
3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 28806099
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-methyl-N-phenylacetamide
CID 71823910
2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 75527156
4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-phenylphthalazin-1-one
CID 50928243
3-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,2,4-oxadiazole
CID 6459267
N-[2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]ethyl]-2-chlorobenzamide
CID 91888391
3-(1,3-benzodioxol-5-yl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 91917216
3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 28806185
7-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-4-ethyl-1H-quinoxaline-2,3-dione
CID 53005944
2-[5-amino-4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-phenylacetamide
CID 42585182
[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl pyridine-2-carboxylate
CID 51047444

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid?
The IUPAC name of 2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid (CID 56770475) is 2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid is O=C(O)Cn1c(-c2nc(-c3ccc4c(c3)OCO4)no2)cc2ccccc21.
What is the InChIKey of 2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid?
The InChIKey is VLZWAYULENSCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O5/c23-17(24)9-22-13-4-2-1-3-11(13)7-14(22)19-20-18(21-27-19)12-5-6-15-16(8-12)26-10-25-15/h1-8H,9-10H2,(H,23,24).
What are the key properties of 2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid?
2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid has a molecular weight of 363.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]indol-1-yl]acetic acid is sourced from PubChem (CID 56770475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).