2-[2-oxo-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-5-yl]acetic acid

C8H9N3O4 — CID 82394690

IUPAC2-[2-oxo-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-5-yl]acetic acid
SMILESO=C(O)CC1CN(c2cn[nH]c2)C(=O)O1
InChIInChI=1S/C8H9N3O4/c12-7(13)1-6-4-11(8(14)15-6)5-2-9-10-3-5/h2-3,6H,1,4H2,(H,9,10)(H,12,13)
InChIKeyBIXLMYDYXDMZJV-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.21
Rot. Bonds3

About 2-[2-oxo-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-5-yl]acetic acid

2-[2-oxo-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-5-yl]acetic acid (PubChem CID 82394690) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2-[2-oxo-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-5-yl]acetic acid
PubChem CID82394690
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name2-[2-oxo-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-5-yl]acetic acid
SMILESO=C(O)CC1CN(c2cn[nH]c2)C(=O)O1
InChIInChI=1S/C8H9N3O4/c12-7(13)1-6-4-11(8(14)15-6)5-2-9-10-3-5/h2-3,6H,1,4H2,(H,9,10)(H,12,13)
InChIKeyBIXLMYDYXDMZJV-UHFFFAOYSA-N
XLogP0.21
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-oxo-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-5-yl]acetic acid 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

2-[3-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115060005
2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115003677
4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid
CID 117063705
2-(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)acetic acid
CID 82406326
(5R)-5-(hydroxymethyl)-3-pyridin-4-yl-1,3-oxazolidin-2-one
CID 115056906
(5R)-5-(chloromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11310370
2-(3-cyclobutyl-2-oxo-1,3-oxazolidin-5-yl)acetic acid
CID 115059970
(5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 15591327
2-[4-[4-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-oxomorpholin-4-ium-4-yl]acetic acid
CID 89158341
2-[3-(2,2-dimethylpropyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115060016
5-(fluoromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 555364
5-(chloromethyl)-3-(3,5-dichlorophenyl)-1,3-oxazolidin-2-one
CID 107654588

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-5-yl]acetic acid?
The IUPAC name of 2-[2-oxo-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-5-yl]acetic acid (CID 82394690) is 2-[2-oxo-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-5-yl]acetic acid is O=C(O)CC1CN(c2cn[nH]c2)C(=O)O1.
What is the InChIKey of 2-[2-oxo-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-5-yl]acetic acid?
The InChIKey is BIXLMYDYXDMZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c12-7(13)1-6-4-11(8(14)15-6)5-2-9-10-3-5/h2-3,6H,1,4H2,(H,9,10)(H,12,13).
What are the key properties of 2-[2-oxo-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-5-yl]acetic acid?
2-[2-oxo-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-5-yl]acetic acid has a molecular weight of 211.18 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(1H-pyrazol-4-yl)-1,3-oxazolidin-5-yl]acetic acid is sourced from PubChem (CID 82394690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).