ethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate

C13H19NO3 — CID 104842750

IUPACethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(C2CCCC2)nc1CC
InChIInChI=1S/C13H19NO3/c1-3-10-11(13(15)16-4-2)17-12(14-10)9-7-5-6-8-9/h9H,3-8H2,1-2H3
InChIKeyOCAKXTRRXVKMCK-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.07
Rot. Bonds4

About ethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate

ethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate (PubChem CID 104842750) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate
PubChem CID104842750
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(C2CCCC2)nc1CC
InChIInChI=1S/C13H19NO3/c1-3-10-11(13(15)16-4-2)17-12(14-10)9-7-5-6-8-9/h9H,3-8H2,1-2H3
InChIKeyOCAKXTRRXVKMCK-UHFFFAOYSA-N
XLogP3.07
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-bicyclo[2.2.1]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylate
CID 113459795
methyl 2-cyclooctyl-4-propyl-1,3-oxazole-5-carboxylate
CID 114371262
ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate
CID 63379547
ethyl 5-cyclooctyl-1,2,4-oxadiazole-3-carboxylate
CID 65020758
ethyl 2-(oxan-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199495
ethyl 2-(2,2-dimethylpropyl)-4-ethyl-1,3-oxazole-5-carboxylate
CID 104842658
ethyl 4-ethyl-2-(3-methylbutan-2-yl)-1,3-oxazole-5-carboxylate
CID 104842589
2-(7-bicyclo[4.1.0]heptanyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842353
ethyl 2-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 114372636
2-(4-tert-butylcyclohexyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842337
ethyl 2-(2-methyloxolan-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 114372659
4-ethyl-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid
CID 104842551

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate (CID 104842750) is ethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(C2CCCC2)nc1CC.
What is the InChIKey of ethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate?
The InChIKey is OCAKXTRRXVKMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-10-11(13(15)16-4-2)17-12(14-10)9-7-5-6-8-9/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate?
ethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopentyl-4-ethyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 104842750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).