2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid

C11H16N2O5 — CID 114949903

IUPAC2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
SMILESCN(CC1(O)CCOCC1)c1nc(C(=O)O)co1
InChIInChI=1S/C11H16N2O5/c1-13(7-11(16)2-4-17-5-3-11)10-12-8(6-18-10)9(14)15/h6,16H,2-5,7H2,1H3,(H,14,15)
InChIKeyZEJKTQKIDARQMJ-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.35
Rot. Bonds4

About 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid

2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid (PubChem CID 114949903) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
PubChem CID114949903
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
SMILESCN(CC1(O)CCOCC1)c1nc(C(=O)O)co1
InChIInChI=1S/C11H16N2O5/c1-13(7-11(16)2-4-17-5-3-11)10-12-8(6-18-10)9(14)15/h6,16H,2-5,7H2,1H3,(H,14,15)
InChIKeyZEJKTQKIDARQMJ-UHFFFAOYSA-N
XLogP0.35
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic 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

4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methylbenzoic acid
CID 114949896
4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol
CID 114952312
2-[methyl-[(1-phenylpyrrolidin-3-yl)methyl]amino]-1,3-oxazole-4-carboxylic acid
CID 134701940
1-[2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethyl]triazole-4-carboxylic acid
CID 114950235
4-[[[6-(hydroxymethyl)pyridazin-3-yl]-methylamino]methyl]oxan-4-ol
CID 114952374
4-[[4-[(1S)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
CID 104985502
2-[(1-benzylpiperidin-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
CID 134697080
5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 114948669
4-[[methyl-(6-nitro-3-pyridinyl)amino]methyl]oxan-4-ol
CID 114952266
4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol
CID 114953948
5-amino-2-fluoro-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzoic acid
CID 114947704
1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(2-methylpyrimidin-4-yl)urea
CID 146091052

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid (CID 114949903) is 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid is CN(CC1(O)CCOCC1)c1nc(C(=O)O)co1.
What is the InChIKey of 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid?
The InChIKey is ZEJKTQKIDARQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-13(7-11(16)2-4-17-5-3-11)10-12-8(6-18-10)9(14)15/h6,16H,2-5,7H2,1H3,(H,14,15).
What are the key properties of 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid?
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 114949903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).