1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-propan-2-yltriazole-4-carboxylic acid

C11H14N4O5 — CID 62059319

IUPAC1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-propan-2-yltriazole-4-carboxylic acid
SMILESCC(C)c1c(C(=O)O)nnn1CC(=O)N1CCOC1=O
InChIInChI=1S/C11H14N4O5/c1-6(2)9-8(10(17)18)12-13-15(9)5-7(16)14-3-4-20-11(14)19/h6H,3-5H2,1-2H3,(H,17,18)
InChIKeyGISCHETYFJMZHI-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.08
Rot. Bonds4

About 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-propan-2-yltriazole-4-carboxylic acid

1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-propan-2-yltriazole-4-carboxylic acid (PubChem CID 62059319) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-propan-2-yltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-propan-2-yltriazole-4-carboxylic acid
PubChem CID62059319
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-propan-2-yltriazole-4-carboxylic acid
SMILESCC(C)c1c(C(=O)O)nnn1CC(=O)N1CCOC1=O
InChIInChI=1S/C11H14N4O5/c1-6(2)9-8(10(17)18)12-13-15(9)5-7(16)14-3-4-20-11(14)19/h6H,3-5H2,1-2H3,(H,17,18)
InChIKeyGISCHETYFJMZHI-UHFFFAOYSA-N
XLogP0.08
TPSA114.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-propan-2-yltriazole-4-carboxylic acid 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-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-propan-2-yltriazole-4-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-propan-2-yltriazole-4-carboxylic acid (CID 62059319) is 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-propan-2-yltriazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-propan-2-yltriazole-4-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-propan-2-yltriazole-4-carboxylic acid is CC(C)c1c(C(=O)O)nnn1CC(=O)N1CCOC1=O.
What is the InChIKey of 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-propan-2-yltriazole-4-carboxylic acid?
The InChIKey is GISCHETYFJMZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5/c1-6(2)9-8(10(17)18)12-13-15(9)5-7(16)14-3-4-20-11(14)19/h6H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-propan-2-yltriazole-4-carboxylic acid?
1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-propan-2-yltriazole-4-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-propan-2-yltriazole-4-carboxylic acid is sourced from PubChem (CID 62059319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).