3-(3-ethoxypropyl)-5-methyl-1,2-oxazole-4-carboxylic acid

C10H15NO4 — CID 165465449

IUPAC3-(3-ethoxypropyl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCCOCCCc1noc(C)c1C(=O)O
InChIInChI=1S/C10H15NO4/c1-3-14-6-4-5-8-9(10(12)13)7(2)15-11-8/h3-6H2,1-2H3,(H,12,13)
InChIKeyNNRIOHQVKDHQFL-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.65
Rot. Bonds6

About 3-(3-ethoxypropyl)-5-methyl-1,2-oxazole-4-carboxylic acid

3-(3-ethoxypropyl)-5-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 165465449) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-(3-ethoxypropyl)-5-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethoxypropyl)-5-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID165465449
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-(3-ethoxypropyl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCCOCCCc1noc(C)c1C(=O)O
InChIInChI=1S/C10H15NO4/c1-3-14-6-4-5-8-9(10(12)13)7(2)15-11-8/h3-6H2,1-2H3,(H,12,13)
InChIKeyNNRIOHQVKDHQFL-UHFFFAOYSA-N
XLogP1.65
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypropyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(3-ethoxypropyl)-5-methyl-1,2-oxazole-4-carboxylic acid (CID 165465449) is 3-(3-ethoxypropyl)-5-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(3-ethoxypropyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(3-ethoxypropyl)-5-methyl-1,2-oxazole-4-carboxylic acid is CCOCCCc1noc(C)c1C(=O)O.
What is the InChIKey of 3-(3-ethoxypropyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is NNRIOHQVKDHQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-14-6-4-5-8-9(10(12)13)7(2)15-11-8/h3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-(3-ethoxypropyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
3-(3-ethoxypropyl)-5-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypropyl)-5-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 165465449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).