3-amino-5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one

C11H8BrN3O2S — CID 106923156

IUPAC3-amino-5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Sc3ncco3)c(Br)cc21
InChIInChI=1S/C11H8BrN3O2S/c12-6-3-5-7(15-10(16)9(5)13)4-8(6)18-11-14-1-2-17-11/h1-4,9H,13H2,(H,15,16)
InChIKeyVVIPPSSFALCVGH-UHFFFAOYSA-N
MW326.18 g/mol
LogP2.54
Rot. Bonds2

About 3-amino-5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one

3-amino-5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one (PubChem CID 106923156) has the molecular formula C11H8BrN3O2S and a molecular weight of 326.18 g/mol. Its IUPAC name is 3-amino-5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
PubChem CID106923156
Molecular FormulaC11H8BrN3O2S
Molecular Weight326.18 g/mol
Exact Mass324.95
IUPAC Name3-amino-5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(Sc3ncco3)c(Br)cc21
InChIInChI=1S/C11H8BrN3O2S/c12-6-3-5-7(15-10(16)9(5)13)4-8(6)18-11-14-1-2-17-11/h1-4,9H,13H2,(H,15,16)
InChIKeyVVIPPSSFALCVGH-UHFFFAOYSA-N
XLogP2.54
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106921415
5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
CID 106923003
5-Chloro-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
CID 106923077
5-Chloro-3-(ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923081
3-(Methylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923088
6-(1,3-Oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
CID 106923089
5-Bromo-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
CID 106923095
3-(Ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923105
5-Chloro-3-(methylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923118
5-Bromo-3-(methylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923119
3-Amino-5-chloro-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923129
5-Bromo-3-(ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923142

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one (CID 106923156) is 3-amino-5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(Sc3ncco3)c(Br)cc21.
What is the InChIKey of 3-amino-5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
The InChIKey is VVIPPSSFALCVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O2S/c12-6-3-5-7(15-10(16)9(5)13)4-8(6)18-11-14-1-2-17-11/h1-4,9H,13H2,(H,15,16).
What are the key properties of 3-amino-5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
3-amino-5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one has a molecular weight of 326.18 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 106923156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).