ethyl 5-(hydroxymethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate

C7H11NO4 — CID 91508265

IUPACethyl 5-(hydroxymethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=CC(CO)ON1
InChIInChI=1S/C7H11NO4/c1-2-11-7(10)6-3-5(4-9)12-8-6/h3,5,8-9H,2,4H2,1H3
InChIKeyROCOQKILJCGKQI-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.67
Rot. Bonds3

About ethyl 5-(hydroxymethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate

ethyl 5-(hydroxymethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate (PubChem CID 91508265) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is ethyl 5-(hydroxymethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(hydroxymethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate
PubChem CID91508265
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Nameethyl 5-(hydroxymethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=CC(CO)ON1
InChIInChI=1S/C7H11NO4/c1-2-11-7(10)6-3-5(4-9)12-8-6/h3,5,8-9H,2,4H2,1H3
InChIKeyROCOQKILJCGKQI-UHFFFAOYSA-N
XLogP-0.67
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(hydroxymethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(hydroxymethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate (CID 91508265) is ethyl 5-(hydroxymethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(hydroxymethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(hydroxymethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate is CCOC(=O)C1=CC(CO)ON1.
What is the InChIKey of ethyl 5-(hydroxymethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate?
The InChIKey is ROCOQKILJCGKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-2-11-7(10)6-3-5(4-9)12-8-6/h3,5,8-9H,2,4H2,1H3.
What are the key properties of ethyl 5-(hydroxymethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate?
ethyl 5-(hydroxymethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate has a molecular weight of 173.17 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(hydroxymethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 91508265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).