6-(1,3-benzoxazol-2-ylsulfanyl)-3-hydroxy-1,3-dihydroindol-2-one

C15H10N2O3S — CID 63812956

IUPAC6-(1,3-benzoxazol-2-ylsulfanyl)-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3nc4ccccc4o3)ccc2C1O
InChIInChI=1S/C15H10N2O3S/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/h1-7,13,18H,(H,16,19)
InChIKeyFQYWDMOIHSIBIJ-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.96
Rot. Bonds2

About 6-(1,3-benzoxazol-2-ylsulfanyl)-3-hydroxy-1,3-dihydroindol-2-one

6-(1,3-benzoxazol-2-ylsulfanyl)-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 63812956) has the molecular formula C15H10N2O3S and a molecular weight of 298.32 g/mol. Its IUPAC name is 6-(1,3-benzoxazol-2-ylsulfanyl)-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(1,3-benzoxazol-2-ylsulfanyl)-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID63812956
Molecular FormulaC15H10N2O3S
Molecular Weight298.32 g/mol
Exact Mass298.04
IUPAC Name6-(1,3-benzoxazol-2-ylsulfanyl)-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3nc4ccccc4o3)ccc2C1O
InChIInChI=1S/C15H10N2O3S/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/h1-7,13,18H,(H,16,19)
InChIKeyFQYWDMOIHSIBIJ-UHFFFAOYSA-N
XLogP2.96
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzoxazol-2-ylsulfanyl)-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-(1,3-benzoxazol-2-ylsulfanyl)-3-hydroxy-1,3-dihydroindol-2-one (CID 63812956) is 6-(1,3-benzoxazol-2-ylsulfanyl)-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(1,3-benzoxazol-2-ylsulfanyl)-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(1,3-benzoxazol-2-ylsulfanyl)-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2cc(Sc3nc4ccccc4o3)ccc2C1O.
What is the InChIKey of 6-(1,3-benzoxazol-2-ylsulfanyl)-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is FQYWDMOIHSIBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3S/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/h1-7,13,18H,(H,16,19).
What are the key properties of 6-(1,3-benzoxazol-2-ylsulfanyl)-3-hydroxy-1,3-dihydroindol-2-one?
6-(1,3-benzoxazol-2-ylsulfanyl)-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 298.32 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzoxazol-2-ylsulfanyl)-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 63812956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).