5-[[hydroxy(methyl)amino]methyl]-1,2-oxazole-3-carboxylic acid

C6H8N2O4 — CID 131122642

IUPAC5-[[hydroxy(methyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCN(O)Cc1cc(C(=O)O)no1
InChIInChI=1S/C6H8N2O4/c1-8(11)3-4-2-5(6(9)10)7-12-4/h2,11H,3H2,1H3,(H,9,10)
InChIKeyOHLCQYOVFUCDOP-UHFFFAOYSA-N
MW172.14 g/mol
LogP0.19
Rot. Bonds3

About 5-[[hydroxy(methyl)amino]methyl]-1,2-oxazole-3-carboxylic acid

5-[[hydroxy(methyl)amino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 131122642) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 5-[[hydroxy(methyl)amino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[hydroxy(methyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID131122642
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name5-[[hydroxy(methyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCN(O)Cc1cc(C(=O)O)no1
InChIInChI=1S/C6H8N2O4/c1-8(11)3-4-2-5(6(9)10)7-12-4/h2,11H,3H2,1H3,(H,9,10)
InChIKeyOHLCQYOVFUCDOP-UHFFFAOYSA-N
XLogP0.19
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[(2-amino-2-oxoethyl)-methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397938
5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carboxylic acid
CID 55053071
5-[(dibutylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397880
5-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 54990080
5-[[ethyl(2-hydroxyethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397882
5-[(4-cyano-N-methylanilino)methyl]-1,2-oxazole-3-carboxylic acid
CID 55142151
5-[[ethyl(2-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 79478057
5-(2-hydroxypropyl)-1,2-oxazole-3-carboxylic acid
CID 123347275
5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 61423513
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397827
5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 61397567
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 54986847

Frequently Asked Questions

What is the IUPAC name of 5-[[hydroxy(methyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[hydroxy(methyl)amino]methyl]-1,2-oxazole-3-carboxylic acid (CID 131122642) is 5-[[hydroxy(methyl)amino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[hydroxy(methyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[hydroxy(methyl)amino]methyl]-1,2-oxazole-3-carboxylic acid is CN(O)Cc1cc(C(=O)O)no1.
What is the InChIKey of 5-[[hydroxy(methyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is OHLCQYOVFUCDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c1-8(11)3-4-2-5(6(9)10)7-12-4/h2,11H,3H2,1H3,(H,9,10).
What are the key properties of 5-[[hydroxy(methyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[hydroxy(methyl)amino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 172.14 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[hydroxy(methyl)amino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 131122642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).