cyclobutylmethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate

C11H15NO3 — CID 71987742

IUPACcyclobutylmethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC1CCC1
InChIInChI=1S/C11H15NO3/c1-7-10(8(2)15-12-7)11(13)14-6-9-4-3-5-9/h9H,3-6H2,1-2H3
InChIKeyBOVYRKSRSURKEQ-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.25
Rot. Bonds3

About cyclobutylmethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate

cyclobutylmethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 71987742) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is cyclobutylmethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namecyclobutylmethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID71987742
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namecyclobutylmethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC1CCC1
InChIInChI=1S/C11H15NO3/c1-7-10(8(2)15-12-7)11(13)14-6-9-4-3-5-9/h9H,3-6H2,1-2H3
InChIKeyBOVYRKSRSURKEQ-UHFFFAOYSA-N
XLogP2.25
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutylmethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of cyclobutylmethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 71987742) is cyclobutylmethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for cyclobutylmethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for cyclobutylmethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)OCC1CCC1.
What is the InChIKey of cyclobutylmethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is BOVYRKSRSURKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-10(8(2)15-12-7)11(13)14-6-9-4-3-5-9/h9H,3-6H2,1-2H3.
What are the key properties of cyclobutylmethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
cyclobutylmethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 209.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylmethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 71987742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).