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

C9H13NO4 — CID 168852129

IUPACethyl 3-(2-methoxyethyl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1conc1CCOC
InChIInChI=1S/C9H13NO4/c1-3-13-9(11)7-6-14-10-8(7)4-5-12-2/h6H,3-5H2,1-2H3
InChIKeyVDJBMBKLNKIHCU-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.04
Rot. Bonds5

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

ethyl 3-(2-methoxyethyl)-1,2-oxazole-4-carboxylate (PubChem CID 168852129) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is ethyl 3-(2-methoxyethyl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methoxyethyl)-1,2-oxazole-4-carboxylate
PubChem CID168852129
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Nameethyl 3-(2-methoxyethyl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1conc1CCOC
InChIInChI=1S/C9H13NO4/c1-3-13-9(11)7-6-14-10-8(7)4-5-12-2/h6H,3-5H2,1-2H3
InChIKeyVDJBMBKLNKIHCU-UHFFFAOYSA-N
XLogP1.04
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(methoxymethyl)-1,2-oxazole-4-carboxylate
CID 168845716
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
ethyl 3-(4-ethylphenyl)-1,2-oxazole-4-carboxylate
CID 867446
ethyl 5-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379498
4-tert-butyl-3-(2-methoxyethyl)-1,2-oxazole
CID 168764377
ethyl 3-[(R)-hydroxy(phenyl)methyl]-1,2-oxazole-4-carboxylate
CID 125265673
ethyl 4-ethyl-2-[2-(2-methoxyethoxy)ethyl]pyrimidine-5-carboxylate
CID 102972911
methyl 3-methyl-1,2-oxazole-4-carboxylate
CID 5249569

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methoxyethyl)-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-(2-methoxyethyl)-1,2-oxazole-4-carboxylate (CID 168852129) is ethyl 3-(2-methoxyethyl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(2-methoxyethyl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-(2-methoxyethyl)-1,2-oxazole-4-carboxylate is CCOC(=O)c1conc1CCOC.
What is the InChIKey of ethyl 3-(2-methoxyethyl)-1,2-oxazole-4-carboxylate?
The InChIKey is VDJBMBKLNKIHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-3-13-9(11)7-6-14-10-8(7)4-5-12-2/h6H,3-5H2,1-2H3.
What are the key properties of ethyl 3-(2-methoxyethyl)-1,2-oxazole-4-carboxylate?
ethyl 3-(2-methoxyethyl)-1,2-oxazole-4-carboxylate has a molecular weight of 199.21 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methoxyethyl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 168852129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).