ethyl 2-(cyclohexylidenemethyl)-5-methyl-1,3-oxazole-4-carboxylate

C14H19NO3 — CID 44557600

IUPACethyl 2-(cyclohexylidenemethyl)-5-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C=C2CCCCC2)oc1C
InChIInChI=1S/C14H19NO3/c1-3-17-14(16)13-10(2)18-12(15-13)9-11-7-5-4-6-8-11/h9H,3-8H2,1-2H3
InChIKeyQCYWIRMNIBZVIL-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.51
Rot. Bonds3

About ethyl 2-(cyclohexylidenemethyl)-5-methyl-1,3-oxazole-4-carboxylate

ethyl 2-(cyclohexylidenemethyl)-5-methyl-1,3-oxazole-4-carboxylate (PubChem CID 44557600) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 2-(cyclohexylidenemethyl)-5-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclohexylidenemethyl)-5-methyl-1,3-oxazole-4-carboxylate
PubChem CID44557600
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl 2-(cyclohexylidenemethyl)-5-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C=C2CCCCC2)oc1C
InChIInChI=1S/C14H19NO3/c1-3-17-14(16)13-10(2)18-12(15-13)9-11-7-5-4-6-8-11/h9H,3-8H2,1-2H3
InChIKeyQCYWIRMNIBZVIL-UHFFFAOYSA-N
XLogP3.51
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclohexylidenemethyl)-5-methyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(cyclohexylidenemethyl)-5-methyl-1,3-oxazole-4-carboxylate (CID 44557600) is ethyl 2-(cyclohexylidenemethyl)-5-methyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(cyclohexylidenemethyl)-5-methyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(cyclohexylidenemethyl)-5-methyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(C=C2CCCCC2)oc1C.
What is the InChIKey of ethyl 2-(cyclohexylidenemethyl)-5-methyl-1,3-oxazole-4-carboxylate?
The InChIKey is QCYWIRMNIBZVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-17-14(16)13-10(2)18-12(15-13)9-11-7-5-4-6-8-11/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(cyclohexylidenemethyl)-5-methyl-1,3-oxazole-4-carboxylate?
ethyl 2-(cyclohexylidenemethyl)-5-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclohexylidenemethyl)-5-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 44557600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).