ethyl 5-methyl-1,2-oxazole-4-carboxylate

C7H9NO3 — CID 7009317

IUPACethyl 5-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1cnoc1C
InChIInChI=1S/C7H9NO3/c1-3-10-7(9)6-4-8-11-5(6)2/h4H,3H2,1-2H3
InChIKeyKOMSQTMQKWSQDW-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.16
Rot. Bonds2

About ethyl 5-methyl-1,2-oxazole-4-carboxylate

ethyl 5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 7009317) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is ethyl 5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-1,2-oxazole-4-carboxylate
PubChem CID7009317
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Nameethyl 5-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1cnoc1C
InChIInChI=1S/C7H9NO3/c1-3-10-7(9)6-4-8-11-5(6)2/h4H,3H2,1-2H3
InChIKeyKOMSQTMQKWSQDW-UHFFFAOYSA-N
XLogP1.16
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methylisoxazole-4-carboxylic acid
CID 1425240
Methyl 5-methyl-1,2-oxazole-4-carboxylate
CID 22309104
5-Chloromethyl-isoxazole-4-carboxylic acid ethyl ester
CID 75487595
Methyl 5-(chloromethyl)-1,2-oxazole-4-carboxylate
CID 119032149
Ethyl 5-(diethoxymethyl)-1,2-oxazole-4-carboxylate
CID 121224398
Ethyl 5-(trifluoromethyl)isoxazole-4-carboxylate
CID 63235320
Dimethyl 1,2-oxazole-4,5-dicarboxylate
CID 12857879
5-Methyl-1,2-oxazole-4-carboxylate
CID 6985532
Ethyl 5-(difluoromethyl)-1,2-oxazole-4-carboxylate
CID 63235319
5-(Fluoromethyl)isoxazole-4-carboxylic acid
CID 165973288
Ethyl-5-ethyl-isoxazole-4-carboxylate
CID 14787239
Methyl 5-(methoxymethyl)isoxazole-4-carboxylate
CID 14787242

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-1,2-oxazole-4-carboxylate (CID 7009317) is ethyl 5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-1,2-oxazole-4-carboxylate is CCOC(=O)c1cnoc1C.
What is the InChIKey of ethyl 5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is KOMSQTMQKWSQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-3-10-7(9)6-4-8-11-5(6)2/h4H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-1,2-oxazole-4-carboxylate?
ethyl 5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 155.15 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 7009317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).