5-ethoxycarbonyl-1,2-oxazole-4-carboxylic acid

C7H7NO5 — CID 117218699

IUPAC5-ethoxycarbonyl-1,2-oxazole-4-carboxylic acid
SMILESCCOC(=O)c1oncc1C(=O)O
InChIInChI=1S/C7H7NO5/c1-2-12-7(11)5-4(6(9)10)3-8-13-5/h3H,2H2,1H3,(H,9,10)
InChIKeyLBDDLFDKRHVWFQ-UHFFFAOYSA-N
MW185.13 g/mol
LogP0.55
Rot. Bonds3

About 5-ethoxycarbonyl-1,2-oxazole-4-carboxylic acid

5-ethoxycarbonyl-1,2-oxazole-4-carboxylic acid (PubChem CID 117218699) has the molecular formula C7H7NO5 and a molecular weight of 185.13 g/mol. Its IUPAC name is 5-ethoxycarbonyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethoxycarbonyl-1,2-oxazole-4-carboxylic acid
PubChem CID117218699
Molecular FormulaC7H7NO5
Molecular Weight185.13 g/mol
Exact Mass185.03
IUPAC Name5-ethoxycarbonyl-1,2-oxazole-4-carboxylic acid
SMILESCCOC(=O)c1oncc1C(=O)O
InChIInChI=1S/C7H7NO5/c1-2-12-7(11)5-4(6(9)10)3-8-13-5/h3H,2H2,1H3,(H,9,10)
InChIKeyLBDDLFDKRHVWFQ-UHFFFAOYSA-N
XLogP0.55
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxycarbonyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-ethoxycarbonyl-1,2-oxazole-4-carboxylic acid (CID 117218699) is 5-ethoxycarbonyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-ethoxycarbonyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-ethoxycarbonyl-1,2-oxazole-4-carboxylic acid is CCOC(=O)c1oncc1C(=O)O.
What is the InChIKey of 5-ethoxycarbonyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is LBDDLFDKRHVWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO5/c1-2-12-7(11)5-4(6(9)10)3-8-13-5/h3H,2H2,1H3,(H,9,10).
What are the key properties of 5-ethoxycarbonyl-1,2-oxazole-4-carboxylic acid?
5-ethoxycarbonyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 185.13 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxycarbonyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 117218699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).