3-ethoxy-1,2-oxazole-5-carboxylic acid

C6H7NO4 — CID 15007418

IUPAC3-ethoxy-1,2-oxazole-5-carboxylic acid
SMILESCCOc1cc(C(=O)O)on1
InChIInChI=1S/C6H7NO4/c1-2-10-5-3-4(6(8)9)11-7-5/h3H,2H2,1H3,(H,8,9)
InChIKeyWMZQNHZWOVCSHF-UHFFFAOYSA-N
MW157.12 g/mol
LogP0.77
Rot. Bonds3

About 3-ethoxy-1,2-oxazole-5-carboxylic acid

3-ethoxy-1,2-oxazole-5-carboxylic acid (PubChem CID 15007418) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is 3-ethoxy-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-ethoxy-1,2-oxazole-5-carboxylic acid
PubChem CID15007418
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name3-ethoxy-1,2-oxazole-5-carboxylic acid
SMILESCCOc1cc(C(=O)O)on1
InChIInChI=1S/C6H7NO4/c1-2-10-5-3-4(6(8)9)11-7-5/h3H,2H2,1H3,(H,8,9)
InChIKeyWMZQNHZWOVCSHF-UHFFFAOYSA-N
XLogP0.77
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methoxy-1,2-oxazole-5-carboxylic acid
CID 327717
2-[(5-Methyl-1,2-oxazol-3-yl)oxy]acetic acid
CID 4962137
3-Methoxy-5-isoxazolemethanol
CID 10678258
Methyl 3-prop-2-ynoxy-1,2-oxazole-5-carboxylate
CID 140030818
3-(2,2,2-Trifluoroethoxy)isoxazole-5-carboxylic acid
CID 168168802
5-Isoxazolecarboxylic acid, 3-methoxy-, methyl ester
CID 639214
Methyl 3-(allyloxy)isoxazole-5-carboxylate
CID 639217
[3-(1,1,2,2-Tetrafluoroethoxy)isoxazol-5-yl]methanol
CID 22261992
Methyl 3-(1,1,2,2-tetrafluoroethoxy)-5-isoxazole carboxylate
CID 22262066
3-(2-Fluoroethoxy)isoxazole-5-carboxylic acid
CID 45091216
Methyl 3-(3,3-difluoro-2-hydroxypropoxy)isoxazole-5-carboxylate
CID 67777697
3-(3-Fluoro-2-hydroxypropoxy)-1,2-oxazole-5-carboxylic acid
CID 67778359

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-ethoxy-1,2-oxazole-5-carboxylic acid (CID 15007418) is 3-ethoxy-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-ethoxy-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-ethoxy-1,2-oxazole-5-carboxylic acid is CCOc1cc(C(=O)O)on1.
What is the InChIKey of 3-ethoxy-1,2-oxazole-5-carboxylic acid?
The InChIKey is WMZQNHZWOVCSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4/c1-2-10-5-3-4(6(8)9)11-7-5/h3H,2H2,1H3,(H,8,9).
What are the key properties of 3-ethoxy-1,2-oxazole-5-carboxylic acid?
3-ethoxy-1,2-oxazole-5-carboxylic acid has a molecular weight of 157.12 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 15007418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).