ethyl 3-(3-methylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate

C12H18N2O3 — CID 63358264

IUPACethyl 3-(3-methylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(C2CCCC(C)C2)no1
InChIInChI=1S/C12H18N2O3/c1-3-16-12(15)11-13-10(14-17-11)9-6-4-5-8(2)7-9/h8-9H,3-7H2,1-2H3
InChIKeyUMBHOOHUWFICFE-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.54
Rot. Bonds3

About ethyl 3-(3-methylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate

ethyl 3-(3-methylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate (PubChem CID 63358264) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is ethyl 3-(3-methylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-methylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate
PubChem CID63358264
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nameethyl 3-(3-methylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(C2CCCC(C)C2)no1
InChIInChI=1S/C12H18N2O3/c1-3-16-12(15)11-13-10(14-17-11)9-6-4-5-8(2)7-9/h8-9H,3-7H2,1-2H3
InChIKeyUMBHOOHUWFICFE-UHFFFAOYSA-N
XLogP2.54
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate
CID 65401843
2-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 63560469
(1S)-2-amino-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107836809
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79201365
3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 55201062
4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79192426
5-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 102689868
2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106482937
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80540163
3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 62595230
ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate
CID 63379547
ethyl 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carboxylate
CID 79471951

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-methylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate?
The IUPAC name of ethyl 3-(3-methylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate (CID 63358264) is ethyl 3-(3-methylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(3-methylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate?
The canonical SMILES for ethyl 3-(3-methylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate is CCOC(=O)c1nc(C2CCCC(C)C2)no1.
What is the InChIKey of ethyl 3-(3-methylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate?
The InChIKey is UMBHOOHUWFICFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-16-12(15)11-13-10(14-17-11)9-6-4-5-8(2)7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of ethyl 3-(3-methylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate?
ethyl 3-(3-methylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-methylcyclohexyl)-1,2,4-oxadiazole-5-carboxylate is sourced from PubChem (CID 63358264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).