ethyl 5-(1-hydroxyethyl)-1,2-oxazole-3-carboxylate

C8H11NO4 — CID 12920231

IUPACethyl 5-(1-hydroxyethyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)O)on1
InChIInChI=1S/C8H11NO4/c1-3-12-8(11)6-4-7(5(2)10)13-9-6/h4-5,10H,3H2,1-2H3
InChIKeyUSAQNLVRCXORQI-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.90
Rot. Bonds3

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

ethyl 5-(1-hydroxyethyl)-1,2-oxazole-3-carboxylate (PubChem CID 12920231) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is ethyl 5-(1-hydroxyethyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1-hydroxyethyl)-1,2-oxazole-3-carboxylate
PubChem CID12920231
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Nameethyl 5-(1-hydroxyethyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)O)on1
InChIInChI=1S/C8H11NO4/c1-3-12-8(11)6-4-7(5(2)10)13-9-6/h4-5,10H,3H2,1-2H3
InChIKeyUSAQNLVRCXORQI-UHFFFAOYSA-N
XLogP0.90
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-hydroxyethyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(1-hydroxyethyl)-1,2-oxazole-3-carboxylate (CID 12920231) is ethyl 5-(1-hydroxyethyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(1-hydroxyethyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(1-hydroxyethyl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(C(C)O)on1.
What is the InChIKey of ethyl 5-(1-hydroxyethyl)-1,2-oxazole-3-carboxylate?
The InChIKey is USAQNLVRCXORQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-3-12-8(11)6-4-7(5(2)10)13-9-6/h4-5,10H,3H2,1-2H3.
What are the key properties of ethyl 5-(1-hydroxyethyl)-1,2-oxazole-3-carboxylate?
ethyl 5-(1-hydroxyethyl)-1,2-oxazole-3-carboxylate has a molecular weight of 185.18 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-hydroxyethyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 12920231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).