2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone

C21H24N4O2S — CID 126767182

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)Cc2c(C)noc2C)cs1
InChIInChI=1S/C21H24N4O2S/c1-13-18(14(2)27-23-13)10-24(4)11-21(26)25-8-7-17-9-16(5-6-20(17)25)19-12-28-15(3)22-19/h5-6,9,12H,7-8,10-11H2,1-4H3
InChIKeyOYLVKPSCZJIUEL-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.74
Rot. Bonds5

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 126767182) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID126767182
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)Cc2c(C)noc2C)cs1
InChIInChI=1S/C21H24N4O2S/c1-13-18(14(2)27-23-13)10-24(4)11-21(26)25-8-7-17-9-16(5-6-20(17)25)19-12-28-15(3)22-19/h5-6,9,12H,7-8,10-11H2,1-4H3
InChIKeyOYLVKPSCZJIUEL-UHFFFAOYSA-N
XLogP3.74
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone (CID 126767182) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone is Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)Cc2c(C)noc2C)cs1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is OYLVKPSCZJIUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-13-18(14(2)27-23-13)10-24(4)11-21(26)25-8-7-17-9-16(5-6-20(17)25)19-12-28-15(3)22-19/h5-6,9,12H,7-8,10-11H2,1-4H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 396.52 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 126767182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).