cyclobutylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

C12H17NO3 — CID 71987741

IUPACcyclobutylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC1CCC1
InChIInChI=1S/C12H17NO3/c1-3-10-11(8(2)16-13-10)12(14)15-7-9-5-4-6-9/h9H,3-7H2,1-2H3
InChIKeyCURQJUJNJOOTKB-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.50
Rot. Bonds4

About cyclobutylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

cyclobutylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 71987741) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is cyclobutylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namecyclobutylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID71987741
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namecyclobutylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC1CCC1
InChIInChI=1S/C12H17NO3/c1-3-10-11(8(2)16-13-10)12(14)15-7-9-5-4-6-9/h9H,3-7H2,1-2H3
InChIKeyCURQJUJNJOOTKB-UHFFFAOYSA-N
XLogP2.50
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of cyclobutylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (CID 71987741) is cyclobutylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for cyclobutylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for cyclobutylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is CCc1noc(C)c1C(=O)OCC1CCC1.
What is the InChIKey of cyclobutylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is CURQJUJNJOOTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-10-11(8(2)16-13-10)12(14)15-7-9-5-4-6-9/h9H,3-7H2,1-2H3.
What are the key properties of cyclobutylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
cyclobutylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 223.27 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylmethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 71987741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).