1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one

C26H24N4O4S — CID 149119260

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one
SMILESCc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cnn(C)c4)c3)c3ccccc23)no1
InChIInChI=1S/C26H24N4O4S/c1-18-10-22(28-34-18)12-23(31)17-35(32,33)26-16-30(25-9-4-3-8-24(25)26)14-19-6-5-7-20(11-19)21-13-27-29(2)15-21/h3-11,13,15-16H,12,14,17H2,1-2H3
InChIKeyQZEUJHONUMPDMY-UHFFFAOYSA-N
MW488.57 g/mol
LogP3.97
Rot. Bonds8

About 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one

1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one (PubChem CID 149119260) has the molecular formula C26H24N4O4S and a molecular weight of 488.57 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one
PubChem CID149119260
Molecular FormulaC26H24N4O4S
Molecular Weight488.57 g/mol
Exact Mass488.15
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one
SMILESCc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cnn(C)c4)c3)c3ccccc23)no1
InChIInChI=1S/C26H24N4O4S/c1-18-10-22(28-34-18)12-23(31)17-35(32,33)26-16-30(25-9-4-3-8-24(25)26)14-19-6-5-7-20(11-19)21-13-27-29(2)15-21/h3-11,13,15-16H,12,14,17H2,1-2H3
InChIKeyQZEUJHONUMPDMY-UHFFFAOYSA-N
XLogP3.97
TPSA99.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-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

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one (CID 149119260) is 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one is Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cnn(C)c4)c3)c3ccccc23)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one?
The InChIKey is QZEUJHONUMPDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S/c1-18-10-22(28-34-18)12-23(31)17-35(32,33)26-16-30(25-9-4-3-8-24(25)26)14-19-6-5-7-20(11-19)21-13-27-29(2)15-21/h3-11,13,15-16H,12,14,17H2,1-2H3.
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one?
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one has a molecular weight of 488.57 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonylpropan-2-one is sourced from PubChem (CID 149119260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).