5-(2-hydroxyethyl)-1,2-oxazole-3-carboxylic acid

C6H7NO4 — CID 67169806

IUPAC5-(2-hydroxyethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CCO)on1
InChIInChI=1S/C6H7NO4/c8-2-1-4-3-5(6(9)10)7-11-4/h3,8H,1-2H2,(H,9,10)
InChIKeyAGUHXUDCDCOTFM-UHFFFAOYSA-N
MW157.12 g/mol
LogP-0.09
Rot. Bonds3

About 5-(2-hydroxyethyl)-1,2-oxazole-3-carboxylic acid

5-(2-hydroxyethyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 67169806) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-1,2-oxazole-3-carboxylic acid
PubChem CID67169806
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name5-(2-hydroxyethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CCO)on1
InChIInChI=1S/C6H7NO4/c8-2-1-4-3-5(6(9)10)7-11-4/h3,8H,1-2H2,(H,9,10)
InChIKeyAGUHXUDCDCOTFM-UHFFFAOYSA-N
XLogP-0.09
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-5-isoxazolecarboxylic acid
CID 76947
2-(3-Methyl-1,2-oxazol-5-yl)acetic acid
CID 4195532
5-Cyclopropyl-1,2-oxazole-3-carboxylic acid
CID 1092113
5-Ethyl-1,2-oxazole-3-carboxylic acid
CID 6483811
5-(Propan-2-yl)-1,2-oxazole-3-carboxylic acid
CID 6483812
5-(Hydroxymethyl)-1,2-oxazole-3-carboxylic acid
CID 8027249
5-Propyl-1,2-oxazole-3-carboxylic acid
CID 1132871
5-(2-Methylpropyl)-1,2-oxazole-3-carboxylic acid
CID 1133642
5-(Fluoromethyl)-1,2-oxazole-3-carboxylic acid
CID 10374574
(5-Ethyl-1,2-oxazol-3-yl)methanol
CID 12278245
5-tert-Butyl-1,2-oxazole-3-carboxylic acid
CID 17389664
5-Acetyl-1,2-oxazole-3-carboxylic acid
CID 17867521

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-hydroxyethyl)-1,2-oxazole-3-carboxylic acid (CID 67169806) is 5-(2-hydroxyethyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxyethyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-hydroxyethyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(CCO)on1.
What is the InChIKey of 5-(2-hydroxyethyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is AGUHXUDCDCOTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4/c8-2-1-4-3-5(6(9)10)7-11-4/h3,8H,1-2H2,(H,9,10).
What are the key properties of 5-(2-hydroxyethyl)-1,2-oxazole-3-carboxylic acid?
5-(2-hydroxyethyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 157.12 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 67169806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).