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

C7H9NO3 — CID 15880726

IUPACethyl 4-methyl-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1oncc1C
InChIInChI=1S/C7H9NO3/c1-3-10-7(9)6-5(2)4-8-11-6/h4H,3H2,1-2H3
InChIKeyVYUQVJATTBOWGQ-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.16
Rot. Bonds2

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

ethyl 4-methyl-1,2-oxazole-5-carboxylate (PubChem CID 15880726) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is ethyl 4-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-1,2-oxazole-5-carboxylate
PubChem CID15880726
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Nameethyl 4-methyl-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1oncc1C
InChIInChI=1S/C7H9NO3/c1-3-10-7(9)6-5(2)4-8-11-6/h4H,3H2,1-2H3
InChIKeyVYUQVJATTBOWGQ-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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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-1,2-oxazole-5-carboxylate (CID 15880726) is ethyl 4-methyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-1,2-oxazole-5-carboxylate is CCOC(=O)c1oncc1C.
What is the InChIKey of ethyl 4-methyl-1,2-oxazole-5-carboxylate?
The InChIKey is VYUQVJATTBOWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-3-10-7(9)6-5(2)4-8-11-6/h4H,3H2,1-2H3.
What are the key properties of ethyl 4-methyl-1,2-oxazole-5-carboxylate?
ethyl 4-methyl-1,2-oxazole-5-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 4-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 15880726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).