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

C7H9NO4 — CID 131265035

IUPACmethyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1cnc(C(C)O)o1
InChIInChI=1S/C7H9NO4/c1-4(9)6-8-3-5(12-6)7(10)11-2/h3-4,9H,1-2H3
InChIKeyIUJDIIYGXDPTHQ-UHFFFAOYSA-N
MW171.15 g/mol
LogP0.51
Rot. Bonds2

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

methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate (PubChem CID 131265035) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate
PubChem CID131265035
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Namemethyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1cnc(C(C)O)o1
InChIInChI=1S/C7H9NO4/c1-4(9)6-8-3-5(12-6)7(10)11-2/h3-4,9H,1-2H3
InChIKeyIUJDIIYGXDPTHQ-UHFFFAOYSA-N
XLogP0.51
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate (CID 131265035) is methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate is COC(=O)c1cnc(C(C)O)o1.
What is the InChIKey of methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate?
The InChIKey is IUJDIIYGXDPTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-4(9)6-8-3-5(12-6)7(10)11-2/h3-4,9H,1-2H3.
What are the key properties of methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate?
methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate has a molecular weight of 171.15 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-hydroxyethyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 131265035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).