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

C12H10ClN3O2S — CID 106923216

IUPAC3-amino-5-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCc1coc(Sc2cc3c(cc2Cl)C(N)C(=O)N3)n1
InChIInChI=1S/C12H10ClN3O2S/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)
InChIKeyPZJXHYZUVHUPQU-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.74
Rot. Bonds2

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

3-amino-5-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one (PubChem CID 106923216) has the molecular formula C12H10ClN3O2S and a molecular weight of 295.75 g/mol. Its IUPAC name is 3-amino-5-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
PubChem CID106923216
Molecular FormulaC12H10ClN3O2S
Molecular Weight295.75 g/mol
Exact Mass295.02
IUPAC Name3-amino-5-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
SMILESCc1coc(Sc2cc3c(cc2Cl)C(N)C(=O)N3)n1
InChIInChI=1S/C12H10ClN3O2S/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)
InChIKeyPZJXHYZUVHUPQU-UHFFFAOYSA-N
XLogP2.74
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923054
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
5-Chloro-3-(methylamino)-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923118
3-Amino-5-chloro-6-(1,3-oxazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 106923129
5-Chloro-3-(ethylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106923175
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-Chloro-3-(methylamino)-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106923206
3-Amino-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106923225
3-amino-1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3H-indol-2-one
CID 106923231

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one (CID 106923216) is 3-amino-5-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one is Cc1coc(Sc2cc3c(cc2Cl)C(N)C(=O)N3)n1.
What is the InChIKey of 3-amino-5-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
The InChIKey is PZJXHYZUVHUPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S/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-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one has a molecular weight of 295.75 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 106923216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).