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

C12H18N2O3 — CID 112619354

IUPACethyl 5-(cyclohexylmethyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(CC2CCCCC2)o1
InChIInChI=1S/C12H18N2O3/c1-2-16-12(15)11-14-13-10(17-11)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyWPVQOYNNRMNZJT-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.37
Rot. Bonds4

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

ethyl 5-(cyclohexylmethyl)-1,3,4-oxadiazole-2-carboxylate (PubChem CID 112619354) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is ethyl 5-(cyclohexylmethyl)-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclohexylmethyl)-1,3,4-oxadiazole-2-carboxylate
PubChem CID112619354
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nameethyl 5-(cyclohexylmethyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(CC2CCCCC2)o1
InChIInChI=1S/C12H18N2O3/c1-2-16-12(15)11-14-13-10(17-11)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyWPVQOYNNRMNZJT-UHFFFAOYSA-N
XLogP2.37
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(cyclohexylmethyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619095
ethyl 5-(hydroxymethyl)-1,3,4-oxadiazole-2-carboxylate
CID 131969481
2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole
CID 53017482
5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
CID 28780022
ethyl 5-(cyclohexylmethyl)-4-(3,5-ditert-butylphenyl)-1,3-oxazole-2-carboxylate
CID 90033688
ethyl 5-undecyl-1,3,4-oxadiazole-2-carboxylate
CID 115960778
ethyl 5-octyl-1,3,4-oxadiazole-2-carboxylate
CID 112619344
ethyl 5-(2-methylsulfanylethyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619358
ethyl 5-(aminomethyl)-1,3,4-oxadiazole-2-carboxylate;2,2,2-trifluoroacetic acid
CID 46856489
ethyl 5-[2-(chloroamino)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 118374926
4-[5-(cycloheptylmethyl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid
CID 114458502
ethyl 5-(cycloheptylmethyl)-1H-imidazole-4-carboxylate
CID 54360930

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclohexylmethyl)-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-(cyclohexylmethyl)-1,3,4-oxadiazole-2-carboxylate (CID 112619354) is ethyl 5-(cyclohexylmethyl)-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(cyclohexylmethyl)-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(cyclohexylmethyl)-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(CC2CCCCC2)o1.
What is the InChIKey of ethyl 5-(cyclohexylmethyl)-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is WPVQOYNNRMNZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-16-12(15)11-14-13-10(17-11)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3.
What are the key properties of ethyl 5-(cyclohexylmethyl)-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-(cyclohexylmethyl)-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclohexylmethyl)-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 112619354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).