5-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid

C8H8N2O5 — CID 112710543

IUPAC5-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESCc1cc(C2OC(=O)NC2C(=O)O)no1
InChIInChI=1S/C8H8N2O5/c1-3-2-4(10-15-3)6-5(7(11)12)9-8(13)14-6/h2,5-6H,1H3,(H,9,13)(H,11,12)
InChIKeySPVXXJITCDMIAK-UHFFFAOYSA-N
MW212.16 g/mol
LogP0.22
Rot. Bonds2

About 5-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid

5-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid (PubChem CID 112710543) has the molecular formula C8H8N2O5 and a molecular weight of 212.16 g/mol. Its IUPAC name is 5-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name5-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
PubChem CID112710543
Molecular FormulaC8H8N2O5
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name5-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESCc1cc(C2OC(=O)NC2C(=O)O)no1
InChIInChI=1S/C8H8N2O5/c1-3-2-4(10-15-3)6-5(7(11)12)9-8(13)14-6/h2,5-6H,1H3,(H,9,13)(H,11,12)
InChIKeySPVXXJITCDMIAK-UHFFFAOYSA-N
XLogP0.22
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of 5-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid (CID 112710543) is 5-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for 5-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for 5-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid is Cc1cc(C2OC(=O)NC2C(=O)O)no1.
What is the InChIKey of 5-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is SPVXXJITCDMIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O5/c1-3-2-4(10-15-3)6-5(7(11)12)9-8(13)14-6/h2,5-6H,1H3,(H,9,13)(H,11,12).
What are the key properties of 5-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid?
5-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 212.16 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 112710543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).