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

C13H11ClN2O3S — CID 106926976

IUPAC5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCc1nc(Sc2cc3c(cc2Cl)C(O)C(=O)N3)oc1C
InChIInChI=1S/C13H11ClN2O3S/c1-5-6(2)19-13(15-5)20-10-4-9-7(3-8(10)14)11(17)12(18)16-9/h3-4,11,17H,1-2H3,(H,16,18)
InChIKeyUYWFVTCGJUNITO-UHFFFAOYSA-N
MW310.76 g/mol
LogP3.08
Rot. Bonds2

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

5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 106926976) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is 5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID106926976
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC Name5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCc1nc(Sc2cc3c(cc2Cl)C(O)C(=O)N3)oc1C
InChIInChI=1S/C13H11ClN2O3S/c1-5-6(2)19-13(15-5)20-10-4-9-7(3-8(10)14)11(17)12(18)16-9/h3-4,11,17H,1-2H3,(H,16,18)
InChIKeyUYWFVTCGJUNITO-UHFFFAOYSA-N
XLogP3.08
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

5-Fluoro-3-hydroxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106926946
6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 106927010
5-Chloro-3-hydroxy-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 79336425
5-Chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
CID 102926178
5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923054
5-Chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one
CID 106923289
3-Amino-5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106923299
3-Hydroxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106926903
5-Chloro-3-hydroxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 106926906
3-hydroxy-1-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-3H-indol-2-one
CID 106926937
6-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
CID 106926973
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one
CID 106927003

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one (CID 106926976) is 5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one is Cc1nc(Sc2cc3c(cc2Cl)C(O)C(=O)N3)oc1C.
What is the InChIKey of 5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is UYWFVTCGJUNITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c1-5-6(2)19-13(15-5)20-10-4-9-7(3-8(10)14)11(17)12(18)16-9/h3-4,11,17H,1-2H3,(H,16,18).
What are the key properties of 5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one?
5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 310.76 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 106926976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).