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

C8H9N3O4 — CID 43565318

IUPAC1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]pyrazole-4-carboxylic acid
SMILESO=C1NCC(Cn2cc(C(=O)O)cn2)O1
InChIInChI=1S/C8H9N3O4/c12-7(13)5-1-10-11(3-5)4-6-2-9-8(14)15-6/h1,3,6H,2,4H2,(H,9,14)(H,12,13)
InChIKeyZKPKZKRNCGXJIN-UHFFFAOYSA-N
MW211.18 g/mol
LogP-0.31
Rot. Bonds3

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

1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]pyrazole-4-carboxylic acid (PubChem CID 43565318) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]pyrazole-4-carboxylic acid
PubChem CID43565318
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]pyrazole-4-carboxylic acid
SMILESO=C1NCC(Cn2cc(C(=O)O)cn2)O1
InChIInChI=1S/C8H9N3O4/c12-7(13)5-1-10-11(3-5)4-6-2-9-8(14)15-6/h1,3,6H,2,4H2,(H,9,14)(H,12,13)
InChIKeyZKPKZKRNCGXJIN-UHFFFAOYSA-N
XLogP-0.31
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]pyrazole-4-carboxylic acid (CID 43565318) is 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]pyrazole-4-carboxylic acid is O=C1NCC(Cn2cc(C(=O)O)cn2)O1.
What is the InChIKey of 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]pyrazole-4-carboxylic acid?
The InChIKey is ZKPKZKRNCGXJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c12-7(13)5-1-10-11(3-5)4-6-2-9-8(14)15-6/h1,3,6H,2,4H2,(H,9,14)(H,12,13).
What are the key properties of 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]pyrazole-4-carboxylic acid?
1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]pyrazole-4-carboxylic acid has a molecular weight of 211.18 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 43565318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).