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

C13H13N3O2S — CID 106923308

IUPAC3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCc1nc(Sc2ccc3c(c2)NC(=O)C3N)oc1C
InChIInChI=1S/C13H13N3O2S/c1-6-7(2)18-13(15-6)19-8-3-4-9-10(5-8)16-12(17)11(9)14/h3-5,11H,14H2,1-2H3,(H,16,17)
InChIKeyMOXGBFIMCGPIFR-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.39
Rot. Bonds2

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

3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one (PubChem CID 106923308) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
PubChem CID106923308
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCc1nc(Sc2ccc3c(c2)NC(=O)C3N)oc1C
InChIInChI=1S/C13H13N3O2S/c1-6-7(2)18-13(15-6)19-8-3-4-9-10(5-8)16-12(17)11(9)14/h3-5,11H,14H2,1-2H3,(H,16,17)
InChIKeyMOXGBFIMCGPIFR-UHFFFAOYSA-N
XLogP2.39
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

5-fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923030
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-1H-indole-2,3-dione
CID 106923055
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide
CID 106373810
5-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline
CID 106921620
1-[2-Amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
CID 106921672
5-Amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106921726
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923028
1-Methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]indole-2,3-dione
CID 106923048
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923052
6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-methylindole-2,3-dione
CID 106923069
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one (CID 106923308) is 3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one is Cc1nc(Sc2ccc3c(c2)NC(=O)C3N)oc1C.
What is the InChIKey of 3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The InChIKey is MOXGBFIMCGPIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-6-7(2)18-13(15-6)19-8-3-4-9-10(5-8)16-12(17)11(9)14/h3-5,11H,14H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one has a molecular weight of 275.33 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 106923308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).