ethyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate

C12H19NO3 — CID 163398260

IUPACethyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1CC(C2CCCCC2)=NO1
InChIInChI=1S/C12H19NO3/c1-2-15-12(14)11-8-10(13-16-11)9-6-4-3-5-7-9/h9,11H,2-8H2,1H3
InChIKeyJJHBANJCJFDVOH-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.27
Rot. Bonds3

About ethyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate

ethyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate (PubChem CID 163398260) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate
PubChem CID163398260
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nameethyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1CC(C2CCCCC2)=NO1
InChIInChI=1S/C12H19NO3/c1-2-15-12(14)11-8-10(13-16-11)9-6-4-3-5-7-9/h9,11H,2-8H2,1H3
InChIKeyJJHBANJCJFDVOH-UHFFFAOYSA-N
XLogP2.27
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate (CID 163398260) is ethyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate is CCOC(=O)C1CC(C2CCCCC2)=NO1.
What is the InChIKey of ethyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The InChIKey is JJHBANJCJFDVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-15-12(14)11-8-10(13-16-11)9-6-4-3-5-7-9/h9,11H,2-8H2,1H3.
What are the key properties of ethyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
ethyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 163398260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).