5-[2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one

C19H13N3O5S — CID 8023058

IUPAC5-[2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)CSc3nnc(-c4ccc5c(c4)OCO5)o3)ccc2N1
InChIInChI=1S/C19H13N3O5S/c23-14(10-1-3-13-12(5-10)7-17(24)20-13)8-28-19-22-21-18(27-19)11-2-4-15-16(6-11)26-9-25-15/h1-6H,7-9H2,(H,20,24)
InChIKeyVVMBKTBGIXTFJX-UHFFFAOYSA-N
MW395.40 g/mol
LogP2.93
Rot. Bonds5

About 5-[2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one

5-[2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one (PubChem CID 8023058) has the molecular formula C19H13N3O5S and a molecular weight of 395.40 g/mol. Its IUPAC name is 5-[2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one
PubChem CID8023058
Molecular FormulaC19H13N3O5S
Molecular Weight395.40 g/mol
Exact Mass395.06
IUPAC Name5-[2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)CSc3nnc(-c4ccc5c(c4)OCO5)o3)ccc2N1
InChIInChI=1S/C19H13N3O5S/c23-14(10-1-3-13-12(5-10)7-17(24)20-13)8-28-19-22-21-18(27-19)11-2-4-15-16(6-11)26-9-25-15/h1-6H,7-9H2,(H,20,24)
InChIKeyVVMBKTBGIXTFJX-UHFFFAOYSA-N
XLogP2.93
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-propylphenyl)ethanone
CID 9361777
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 646798
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 17414181
6-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one
CID 30146500
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-fluorophenyl)ethanone
CID 2553663
5-[2-(4-methylphenyl)sulfanylacetyl]-1,3-dihydroindol-2-one
CID 137349604
6-chloro-5-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one
CID 135654711
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopropylacetamide
CID 2595432
N'-acetyl-2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetohydrazide
CID 9361749
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 2595437
2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 29065644
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42901724

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one (CID 8023058) is 5-[2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)CSc3nnc(-c4ccc5c(c4)OCO5)o3)ccc2N1.
What is the InChIKey of 5-[2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one?
The InChIKey is VVMBKTBGIXTFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O5S/c23-14(10-1-3-13-12(5-10)7-17(24)20-13)8-28-19-22-21-18(27-19)11-2-4-15-16(6-11)26-9-25-15/h1-6H,7-9H2,(H,20,24).
What are the key properties of 5-[2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one?
5-[2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one has a molecular weight of 395.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 8023058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).