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

C9H10N4O5 — CID 55029872

IUPAC5-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid
SMILESCc1c(C(=O)O)nnn1CC(=O)N1CCOC1=O
InChIInChI=1S/C9H10N4O5/c1-5-7(8(15)16)10-11-13(5)4-6(14)12-2-3-18-9(12)17/h2-4H2,1H3,(H,15,16)
InChIKeyPSZNUINSTIEVCT-UHFFFAOYSA-N
MW254.20 g/mol
LogP-0.74
Rot. Bonds3

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

5-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid (PubChem CID 55029872) has the molecular formula C9H10N4O5 and a molecular weight of 254.20 g/mol. Its IUPAC name is 5-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid
PubChem CID55029872
Molecular FormulaC9H10N4O5
Molecular Weight254.20 g/mol
Exact Mass254.07
IUPAC Name5-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid
SMILESCc1c(C(=O)O)nnn1CC(=O)N1CCOC1=O
InChIInChI=1S/C9H10N4O5/c1-5-7(8(15)16)10-11-13(5)4-6(14)12-2-3-18-9(12)17/h2-4H2,1H3,(H,15,16)
InChIKeyPSZNUINSTIEVCT-UHFFFAOYSA-N
XLogP-0.74
TPSA114.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3S)-1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
CID 124490917
5-methyl-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]triazole-4-carboxylic acid
CID 124490916
1-(2-Oxo-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 82202435
1-[2-(Diethylamino)-2-oxoethyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 82202436
1-[2-(2-Methoxyethylamino)-2-oxoethyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 82202437
1-(2-Morpholin-4-yl-2-oxoethyl)-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 94942572
1-[2-[Butyl(methyl)amino]-2-oxoethyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 94942573
1-[2-(1-Methoxypropan-2-ylamino)-2-oxoethyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642680
1-[1-(2-Methoxyethylamino)-1-oxopropan-2-yl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642682
1-[2-[Ethyl(methyl)amino]-2-oxoethyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642699
1-[2-[Methyl(propan-2-yl)amino]-2-oxoethyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642735
1-(1-Oxo-1-pyrrolidin-1-ylpropan-2-yl)-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642798

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid?
The IUPAC name of 5-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid (CID 55029872) is 5-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid is Cc1c(C(=O)O)nnn1CC(=O)N1CCOC1=O.
What is the InChIKey of 5-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid?
The InChIKey is PSZNUINSTIEVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O5/c1-5-7(8(15)16)10-11-13(5)4-6(14)12-2-3-18-9(12)17/h2-4H2,1H3,(H,15,16).
What are the key properties of 5-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid?
5-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid has a molecular weight of 254.20 g/mol, XLogP of -0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 55029872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).