3-amino-5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one

C12H10BrN3O2S — CID 106923242

IUPAC3-amino-5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCc1coc(Sc2cc3c(cc2Br)C(N)C(=O)N3)n1
InChIInChI=1S/C12H10BrN3O2S/c1-5-4-18-12(15-5)19-9-3-8-6(2-7(9)13)10(14)11(17)16-8/h2-4,10H,14H2,1H3,(H,16,17)
InChIKeyDQOXBIQQPRSFET-UHFFFAOYSA-N
MW340.20 g/mol
LogP2.85
Rot. Bonds2

About 3-amino-5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one

3-amino-5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one (PubChem CID 106923242) has the molecular formula C12H10BrN3O2S and a molecular weight of 340.20 g/mol. Its IUPAC name is 3-amino-5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
PubChem CID106923242
Molecular FormulaC12H10BrN3O2S
Molecular Weight340.20 g/mol
Exact Mass338.97
IUPAC Name3-amino-5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCc1coc(Sc2cc3c(cc2Br)C(N)C(=O)N3)n1
InChIInChI=1S/C12H10BrN3O2S/c1-5-4-18-12(15-5)19-9-3-8-6(2-7(9)13)10(14)11(17)16-8/h2-4,10H,14H2,1H3,(H,16,17)
InChIKeyDQOXBIQQPRSFET-UHFFFAOYSA-N
XLogP2.85
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923029
5-bromo-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923053
5-Bromo-6-(1,3-oxazol-2-ylsulfanyl)-3-(propylamino)-1,3-dihydroindol-2-one
CID 106923095
5-Bromo-3-(methylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923119
5-Bromo-3-(ethylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923142
3-Amino-5-bromo-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923156
3-(Methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106923180
6-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-3-(propylamino)-1,3-dihydroindol-2-one
CID 106923181
3-(Ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106923194
5-Bromo-3-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106923207
3-Amino-5-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106923216
3-Amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106923225

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one (CID 106923242) is 3-amino-5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one is Cc1coc(Sc2cc3c(cc2Br)C(N)C(=O)N3)n1.
What is the InChIKey of 3-amino-5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The InChIKey is DQOXBIQQPRSFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2S/c1-5-4-18-12(15-5)19-9-3-8-6(2-7(9)13)10(14)11(17)16-8/h2-4,10H,14H2,1H3,(H,16,17).
What are the key properties of 3-amino-5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
3-amino-5-bromo-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one has a molecular weight of 340.20 g/mol, XLogP of 2.85, 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-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 106923242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).