6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indole-2,3-dione

C15H8N2O3S — CID 43586499

IUPAC6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3nc4ccccc4o3)ccc2C1=O
InChIInChI=1S/C15H8N2O3S/c18-13-9-6-5-8(7-11(9)16-14(13)19)21-15-17-10-3-1-2-4-12(10)20-15/h1-7H,(H,16,18,19)
InChIKeyZONDVFQVGXZZPA-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.11
Rot. Bonds2

About 6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indole-2,3-dione

6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indole-2,3-dione (PubChem CID 43586499) has the molecular formula C15H8N2O3S and a molecular weight of 296.31 g/mol. Its IUPAC name is 6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indole-2,3-dione
PubChem CID43586499
Molecular FormulaC15H8N2O3S
Molecular Weight296.31 g/mol
Exact Mass296.03
IUPAC Name6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3nc4ccccc4o3)ccc2C1=O
InChIInChI=1S/C15H8N2O3S/c18-13-9-6-5-8(7-11(9)16-14(13)19)21-15-17-10-3-1-2-4-12(10)20-15/h1-7H,(H,16,18,19)
InChIKeyZONDVFQVGXZZPA-UHFFFAOYSA-N
XLogP3.11
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylpropanamide
CID 714637
2-(1,3-Benzoxazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 666816
2-[3-(1,3-Benzoxazol-2-ylsulfanyl)propyl]isoindole-1,3-dione
CID 1962637
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 4557239
9-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]nonanamide
CID 9869167
6-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]hexanamide
CID 22272853
15-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]pentadecanamide
CID 22633521
7-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]heptanamide
CID 22633528
4-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]butanamide
CID 22633532
3-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 22633562
10-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide
CID 22633575
8-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]octanamide
CID 22633585

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indole-2,3-dione?
The IUPAC name of 6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indole-2,3-dione (CID 43586499) is 6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indole-2,3-dione.
What is the SMILES notation for 6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indole-2,3-dione?
The canonical SMILES for 6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indole-2,3-dione is O=C1Nc2cc(Sc3nc4ccccc4o3)ccc2C1=O.
What is the InChIKey of 6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indole-2,3-dione?
The InChIKey is ZONDVFQVGXZZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O3S/c18-13-9-6-5-8(7-11(9)16-14(13)19)21-15-17-10-3-1-2-4-12(10)20-15/h1-7H,(H,16,18,19).
What are the key properties of 6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indole-2,3-dione?
6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indole-2,3-dione has a molecular weight of 296.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzoxazol-2-ylsulfanyl)-1H-indole-2,3-dione is sourced from PubChem (CID 43586499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).