ethyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate

C8H13NO3 — CID 14921234

IUPACethyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(C)CC(C)=NO1
InChIInChI=1S/C8H13NO3/c1-4-11-7(10)8(3)5-6(2)9-12-8/h4-5H2,1-3H3
InChIKeyUNACKRPJLGBGEE-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.10
Rot. Bonds2

About ethyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate

ethyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate (PubChem CID 14921234) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is ethyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate
PubChem CID14921234
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Nameethyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(C)CC(C)=NO1
InChIInChI=1S/C8H13NO3/c1-4-11-7(10)8(3)5-6(2)9-12-8/h4-5H2,1-3H3
InChIKeyUNACKRPJLGBGEE-UHFFFAOYSA-N
XLogP1.10
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate (CID 14921234) is ethyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate is CCOC(=O)C1(C)CC(C)=NO1.
What is the InChIKey of ethyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate?
The InChIKey is UNACKRPJLGBGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-4-11-7(10)8(3)5-6(2)9-12-8/h4-5H2,1-3H3.
What are the key properties of ethyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate?
ethyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 171.20 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 14921234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).