2-methyl-3-[3-(1-methylindazol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanal

C16H19N3O5S — CID 144840910

IUPAC2-methyl-3-[3-(1-methylindazol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanal
SMILESCn1ncc2cc(N3CC(CC(C)(C=O)S(C)(=O)=O)OC3=O)ccc21
InChIInChI=1S/C16H19N3O5S/c1-16(10-20,25(3,22)23)7-13-9-19(15(21)24-13)12-4-5-14-11(6-12)8-17-18(14)2/h4-6,8,10,13H,7,9H2,1-3H3
InChIKeyZNDPADNJIZSZGZ-UHFFFAOYSA-N
MW365.41 g/mol
LogP1.29
Rot. Bonds5

About 2-methyl-3-[3-(1-methylindazol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanal

2-methyl-3-[3-(1-methylindazol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanal (PubChem CID 144840910) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-methyl-3-[3-(1-methylindazol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanal.

Molecular Properties

Compound Name2-methyl-3-[3-(1-methylindazol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanal
PubChem CID144840910
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name2-methyl-3-[3-(1-methylindazol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanal
SMILESCn1ncc2cc(N3CC(CC(C)(C=O)S(C)(=O)=O)OC3=O)ccc21
InChIInChI=1S/C16H19N3O5S/c1-16(10-20,25(3,22)23)7-13-9-19(15(21)24-13)12-4-5-14-11(6-12)8-17-18(14)2/h4-6,8,10,13H,7,9H2,1-3H3
InChIKeyZNDPADNJIZSZGZ-UHFFFAOYSA-N
XLogP1.29
TPSA98.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-methyl-3-[3-(1-methylindazol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanal 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

[(5R)-3-(1-methylindazol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 87822785
(5R)-3-(1-methylindazol-5-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 24738079
[1-(1-methylindazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676311
4-(aminomethyl)-1-(1-methylindazol-5-yl)pyrrolidin-2-one
CID 168660104
N-[[3-(4-tert-butylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 110328314
(5R)-5-(2,2-dimethylpropyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one
CID 58836526
3-[3-[4-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoic acid
CID 118050768
3-[3-(4-bromophenyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118050574
1-(1-methylindazol-5-yl)pyrrolidin-3-ol
CID 151995234
N-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922559
5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one
CID 19012505
3-[3-(4-ethynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoic acid
CID 118050525

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(1-methylindazol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanal?
The IUPAC name of 2-methyl-3-[3-(1-methylindazol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanal (CID 144840910) is 2-methyl-3-[3-(1-methylindazol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanal.
What is the SMILES notation for 2-methyl-3-[3-(1-methylindazol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanal?
The canonical SMILES for 2-methyl-3-[3-(1-methylindazol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanal is Cn1ncc2cc(N3CC(CC(C)(C=O)S(C)(=O)=O)OC3=O)ccc21.
What is the InChIKey of 2-methyl-3-[3-(1-methylindazol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanal?
The InChIKey is ZNDPADNJIZSZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-16(10-20,25(3,22)23)7-13-9-19(15(21)24-13)12-4-5-14-11(6-12)8-17-18(14)2/h4-6,8,10,13H,7,9H2,1-3H3.
What are the key properties of 2-methyl-3-[3-(1-methylindazol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanal?
2-methyl-3-[3-(1-methylindazol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanal has a molecular weight of 365.41 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(1-methylindazol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanal is sourced from PubChem (CID 144840910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).