ethyl 2-(2-bicyclo[2.2.1]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylate

C15H21NO3 — CID 113459795

IUPACethyl 2-(2-bicyclo[2.2.1]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(C2CC3CCC2C3)nc1CC
InChIInChI=1S/C15H21NO3/c1-3-12-13(15(17)18-4-2)19-14(16-12)11-8-9-5-6-10(11)7-9/h9-11H,3-8H2,1-2H3
InChIKeyXIPVBIYWFZTZHL-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.32
Rot. Bonds4

About ethyl 2-(2-bicyclo[2.2.1]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylate

ethyl 2-(2-bicyclo[2.2.1]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylate (PubChem CID 113459795) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 2-(2-bicyclo[2.2.1]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-bicyclo[2.2.1]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylate
PubChem CID113459795
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 2-(2-bicyclo[2.2.1]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(C2CC3CCC2C3)nc1CC
InChIInChI=1S/C15H21NO3/c1-3-12-13(15(17)18-4-2)19-14(16-12)11-8-9-5-6-10(11)7-9/h9-11H,3-8H2,1-2H3
InChIKeyXIPVBIYWFZTZHL-UHFFFAOYSA-N
XLogP3.32
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bicyclo[2.2.1]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(2-bicyclo[2.2.1]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylate (CID 113459795) is ethyl 2-(2-bicyclo[2.2.1]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-bicyclo[2.2.1]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2-bicyclo[2.2.1]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(C2CC3CCC2C3)nc1CC.
What is the InChIKey of ethyl 2-(2-bicyclo[2.2.1]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylate?
The InChIKey is XIPVBIYWFZTZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-12-13(15(17)18-4-2)19-14(16-12)11-8-9-5-6-10(11)7-9/h9-11H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(2-bicyclo[2.2.1]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylate?
ethyl 2-(2-bicyclo[2.2.1]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bicyclo[2.2.1]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 113459795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).