6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one

C13H11FN2O3S — CID 106927010

IUPAC6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESCc1nc(Sc2cc3c(cc2F)C(O)C(=O)N3)oc1C
InChIInChI=1S/C13H11FN2O3S/c1-5-6(2)19-13(15-5)20-10-4-9-7(3-8(10)14)11(17)12(18)16-9/h3-4,11,17H,1-2H3,(H,16,18)
InChIKeyXTRRESXGCKSUAY-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.57
Rot. Bonds2

About 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one

6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 106927010) has the molecular formula C13H11FN2O3S and a molecular weight of 294.31 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID106927010
Molecular FormulaC13H11FN2O3S
Molecular Weight294.31 g/mol
Exact Mass294.05
IUPAC Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESCc1nc(Sc2cc3c(cc2F)C(O)C(=O)N3)oc1C
InChIInChI=1S/C13H11FN2O3S/c1-5-6(2)19-13(15-5)20-10-4-9-7(3-8(10)14)11(17)12(18)16-9/h3-4,11,17H,1-2H3,(H,16,18)
InChIKeyXTRRESXGCKSUAY-UHFFFAOYSA-N
XLogP2.57
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (CID 106927010) is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is Cc1nc(Sc2cc3c(cc2F)C(O)C(=O)N3)oc1C.
What is the InChIKey of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is XTRRESXGCKSUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3S/c1-5-6(2)19-13(15-5)20-10-4-9-7(3-8(10)14)11(17)12(18)16-9/h3-4,11,17H,1-2H3,(H,16,18).
What are the key properties of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 294.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 106927010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).