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

C13H19NO3 — CID 67529768

IUPACethyl 3-cyclohexyl-4-methyl-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1onc(C2CCCCC2)c1C
InChIInChI=1S/C13H19NO3/c1-3-16-13(15)12-9(2)11(14-17-12)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3
InChIKeyMBRVRQYGLNDYJC-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.21
Rot. Bonds3

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

ethyl 3-cyclohexyl-4-methyl-1,2-oxazole-5-carboxylate (PubChem CID 67529768) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 3-cyclohexyl-4-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyclohexyl-4-methyl-1,2-oxazole-5-carboxylate
PubChem CID67529768
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl 3-cyclohexyl-4-methyl-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1onc(C2CCCCC2)c1C
InChIInChI=1S/C13H19NO3/c1-3-16-13(15)12-9(2)11(14-17-12)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3
InChIKeyMBRVRQYGLNDYJC-UHFFFAOYSA-N
XLogP3.21
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-cyclohexyl-4-methyl-1,2-oxazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclohexyl-4-methyl-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 3-cyclohexyl-4-methyl-1,2-oxazole-5-carboxylate (CID 67529768) is ethyl 3-cyclohexyl-4-methyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 3-cyclohexyl-4-methyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 3-cyclohexyl-4-methyl-1,2-oxazole-5-carboxylate is CCOC(=O)c1onc(C2CCCCC2)c1C.
What is the InChIKey of ethyl 3-cyclohexyl-4-methyl-1,2-oxazole-5-carboxylate?
The InChIKey is MBRVRQYGLNDYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-16-13(15)12-9(2)11(14-17-12)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3.
What are the key properties of ethyl 3-cyclohexyl-4-methyl-1,2-oxazole-5-carboxylate?
ethyl 3-cyclohexyl-4-methyl-1,2-oxazole-5-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 3.21, 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-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 67529768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).