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

C7H8N4O4 — CID 94339257

IUPAC1-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4-carboxylic acid
SMILESO=C1NC[C@@H](Cn2cc(C(=O)O)nn2)O1
InChIInChI=1S/C7H8N4O4/c12-6(13)5-3-11(10-9-5)2-4-1-8-7(14)15-4/h3-4H,1-2H2,(H,8,14)(H,12,13)/t4-/m0/s1
InChIKeyDJKBMEDPJBCALT-BYPYZUCNSA-N
MW212.16 g/mol
LogP-0.92
Rot. Bonds3

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

1-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4-carboxylic acid (PubChem CID 94339257) has the molecular formula C7H8N4O4 and a molecular weight of 212.16 g/mol. Its IUPAC name is 1-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4-carboxylic acid
PubChem CID94339257
Molecular FormulaC7H8N4O4
Molecular Weight212.16 g/mol
Exact Mass212.05
IUPAC Name1-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4-carboxylic acid
SMILESO=C1NC[C@@H](Cn2cc(C(=O)O)nn2)O1
InChIInChI=1S/C7H8N4O4/c12-6(13)5-3-11(10-9-5)2-4-1-8-7(14)15-4/h3-4H,1-2H2,(H,8,14)(H,12,13)/t4-/m0/s1
InChIKeyDJKBMEDPJBCALT-BYPYZUCNSA-N
XLogP-0.92
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 141077356
1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]pyrazole-4-carboxylic acid
CID 43565318
5-[[4-(1-aminoethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 114420142
1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-N-[(2-propan-2-ylphenyl)methyl]triazole-4-carboxamide
CID 155953360
1-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrazole-3-carboxamide
CID 67487864
1-[(3-aminocyclobutyl)methyl]triazole-4-carboxylic acid
CID 165440494
1-[[(5R)-3-[4-(1-isocyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4-carboxylic acid
CID 59120602
(5S)-5-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 66893932
methyl 5-(methoxymethyl)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazole-4-carboxylate
CID 102643772
1-[[1-(2-fluoroethyl)azetidin-3-yl]methyl]triazole-4-carboxylic acid
CID 121208487
1-[2-[(2-oxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid
CID 103248575
5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 61175870

Frequently Asked Questions

What is the IUPAC name of 1-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4-carboxylic acid (CID 94339257) is 1-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4-carboxylic acid is O=C1NC[C@@H](Cn2cc(C(=O)O)nn2)O1.
What is the InChIKey of 1-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4-carboxylic acid?
The InChIKey is DJKBMEDPJBCALT-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H8N4O4/c12-6(13)5-3-11(10-9-5)2-4-1-8-7(14)15-4/h3-4H,1-2H2,(H,8,14)(H,12,13)/t4-/m0/s1.
What are the key properties of 1-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4-carboxylic acid?
1-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4-carboxylic acid has a molecular weight of 212.16 g/mol, XLogP of -0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 94339257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).