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

C11H9N3O2S — CID 106921415

IUPAC5-amino-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1Sc1ncco1)NC(=O)C2
InChIInChI=1S/C11H9N3O2S/c12-7-3-6-4-10(15)14-8(6)5-9(7)17-11-13-1-2-16-11/h1-3,5H,4,12H2,(H,14,15)
InChIKeyDFJIMCNYIPUQAJ-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.90
Rot. Bonds2

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

5-amino-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one (PubChem CID 106921415) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 5-amino-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
PubChem CID106921415
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name5-amino-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1Sc1ncco1)NC(=O)C2
InChIInChI=1S/C11H9N3O2S/c12-7-3-6-4-10(15)14-8(6)5-9(7)17-11-13-1-2-16-11/h1-3,5H,4,12H2,(H,14,15)
InChIKeyDFJIMCNYIPUQAJ-UHFFFAOYSA-N
XLogP1.90
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
CID 113893564
3-Amino-4-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921347
3-amino-N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921381
3-amino-N,N-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)benzamide
CID 106921432
6-amino-7-(1,3-oxazol-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one
CID 106921438
5-Amino-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106921726
6-(1,3-oxazol-2-ylsulfanyl)-1H-indole-2,3-dione
CID 106923002
1-Methyl-6-(1,3-oxazol-2-ylsulfanyl)indole-2,3-dione
CID 106923021
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one (CID 106921415) is 5-amino-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one is Nc1cc2c(cc1Sc1ncco1)NC(=O)C2.
What is the InChIKey of 5-amino-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
The InChIKey is DFJIMCNYIPUQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c12-7-3-6-4-10(15)14-8(6)5-9(7)17-11-13-1-2-16-11/h1-3,5H,4,12H2,(H,14,15).
What are the key properties of 5-amino-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one?
5-amino-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one has a molecular weight of 247.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 106921415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).