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

C14H15N3O2S — CID 106923264

IUPAC6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Sc3nc(C)c(C)o3)ccc21
InChIInChI=1S/C14H15N3O2S/c1-7-8(2)19-14(16-7)20-9-4-5-10-11(6-9)17-13(18)12(10)15-3/h4-6,12,15H,1-3H3,(H,17,18)
InChIKeyVCHWZYMEJHUILU-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.66
Rot. Bonds3

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

6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 106923264) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID106923264
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Sc3nc(C)c(C)o3)ccc21
InChIInChI=1S/C14H15N3O2S/c1-7-8(2)19-14(16-7)20-9-4-5-10-11(6-9)17-13(18)12(10)15-3/h4-6,12,15H,1-3H3,(H,17,18)
InChIKeyVCHWZYMEJHUILU-UHFFFAOYSA-N
XLogP2.66
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-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-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
3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide
CID 106921688
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

Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one (CID 106923264) is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(Sc3nc(C)c(C)o3)ccc21.
What is the InChIKey of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is VCHWZYMEJHUILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-7-8(2)19-14(16-7)20-9-4-5-10-11(6-9)17-13(18)12(10)15-3/h4-6,12,15H,1-3H3,(H,17,18).
What are the key properties of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one?
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 289.36 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 106923264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).