ethyl 3-(methoxymethyl)-1,2-oxazole-4-carboxylate

C8H11NO4 — CID 168845716

IUPACethyl 3-(methoxymethyl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1conc1COC
InChIInChI=1S/C8H11NO4/c1-3-12-8(10)6-4-13-9-7(6)5-11-2/h4H,3,5H2,1-2H3
InChIKeyBBPUAGYTYQFSDG-UHFFFAOYSA-N
MW185.18 g/mol
LogP1.00
Rot. Bonds4

About ethyl 3-(methoxymethyl)-1,2-oxazole-4-carboxylate

ethyl 3-(methoxymethyl)-1,2-oxazole-4-carboxylate (PubChem CID 168845716) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is ethyl 3-(methoxymethyl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(methoxymethyl)-1,2-oxazole-4-carboxylate
PubChem CID168845716
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Nameethyl 3-(methoxymethyl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1conc1COC
InChIInChI=1S/C8H11NO4/c1-3-12-8(10)6-4-13-9-7(6)5-11-2/h4H,3,5H2,1-2H3
InChIKeyBBPUAGYTYQFSDG-UHFFFAOYSA-N
XLogP1.00
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(2-methoxyethyl)-1,2-oxazole-4-carboxylate
CID 168852129
ethyl 3-(2-oxoethyl)-1,2-oxazole-4-carboxylate
CID 154642732
ethyl 3-(2,2-difluoroethyl)-1,2-oxazole-4-carboxylate
CID 154642707
ethyl 3-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylate
CID 154642728
3-O-tert-butyl 4-O-ethyl 1,2-oxazole-3,4-dicarboxylate
CID 54184374
ethyl 3-phenyl-1,2-oxazole-4-carboxylate
CID 871048
methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazole-4-carboxylate
CID 168861760
ethyl 3-(4-ethylphenyl)-1,2-oxazole-4-carboxylate
CID 867446
ethyl 3-[(R)-hydroxy(phenyl)methyl]-1,2-oxazole-4-carboxylate
CID 125265673
3-(methoxymethyl)-4-pentyl-1,2-oxazole
CID 67274471
diethyl 4-(methoxymethyl)benzene-1,2-dicarboxylate
CID 141473681
ethyl 2-(2-ethoxy-2-oxoethyl)-6-(methoxymethyl)pyridine-3-carboxylate
CID 154810037

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methoxymethyl)-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-(methoxymethyl)-1,2-oxazole-4-carboxylate (CID 168845716) is ethyl 3-(methoxymethyl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(methoxymethyl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-(methoxymethyl)-1,2-oxazole-4-carboxylate is CCOC(=O)c1conc1COC.
What is the InChIKey of ethyl 3-(methoxymethyl)-1,2-oxazole-4-carboxylate?
The InChIKey is BBPUAGYTYQFSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-3-12-8(10)6-4-13-9-7(6)5-11-2/h4H,3,5H2,1-2H3.
What are the key properties of ethyl 3-(methoxymethyl)-1,2-oxazole-4-carboxylate?
ethyl 3-(methoxymethyl)-1,2-oxazole-4-carboxylate has a molecular weight of 185.18 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methoxymethyl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 168845716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).