ethyl 5-(3-methylcyclohexyl)-4,5-dihydro-1,3-oxazole-4-carboxylate

C13H21NO3 — CID 66204287

IUPACethyl 5-(3-methylcyclohexyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)C1N=COC1C1CCCC(C)C1
InChIInChI=1S/C13H21NO3/c1-3-16-13(15)11-12(17-8-14-11)10-6-4-5-9(2)7-10/h8-12H,3-7H2,1-2H3
InChIKeyIGJSFDQSLWTPEB-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.17
Rot. Bonds3

About ethyl 5-(3-methylcyclohexyl)-4,5-dihydro-1,3-oxazole-4-carboxylate

ethyl 5-(3-methylcyclohexyl)-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 66204287) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is ethyl 5-(3-methylcyclohexyl)-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-methylcyclohexyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID66204287
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nameethyl 5-(3-methylcyclohexyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)C1N=COC1C1CCCC(C)C1
InChIInChI=1S/C13H21NO3/c1-3-16-13(15)11-12(17-8-14-11)10-6-4-5-9(2)7-10/h8-12H,3-7H2,1-2H3
InChIKeyIGJSFDQSLWTPEB-UHFFFAOYSA-N
XLogP2.17
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-methylcyclohexyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(3-methylcyclohexyl)-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 66204287) is ethyl 5-(3-methylcyclohexyl)-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(3-methylcyclohexyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(3-methylcyclohexyl)-4,5-dihydro-1,3-oxazole-4-carboxylate is CCOC(=O)C1N=COC1C1CCCC(C)C1.
What is the InChIKey of ethyl 5-(3-methylcyclohexyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is IGJSFDQSLWTPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-3-16-13(15)11-12(17-8-14-11)10-6-4-5-9(2)7-10/h8-12H,3-7H2,1-2H3.
What are the key properties of ethyl 5-(3-methylcyclohexyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
ethyl 5-(3-methylcyclohexyl)-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-methylcyclohexyl)-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 66204287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).