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

C11H16N2O3 — CID 106828250

IUPACmethyl 5-(1-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCOC(=O)c1nnc(C2(C)CCCCC2)o1
InChIInChI=1S/C11H16N2O3/c1-11(6-4-3-5-7-11)10-13-12-8(16-10)9(14)15-2/h3-7H2,1-2H3
InChIKeyWZAOZBDTJPCUMX-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.08
Rot. Bonds2

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

methyl 5-(1-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxylate (PubChem CID 106828250) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 5-(1-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxylate
PubChem CID106828250
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namemethyl 5-(1-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCOC(=O)c1nnc(C2(C)CCCCC2)o1
InChIInChI=1S/C11H16N2O3/c1-11(6-4-3-5-7-11)10-13-12-8(16-10)9(14)15-2/h3-7H2,1-2H3
InChIKeyWZAOZBDTJPCUMX-UHFFFAOYSA-N
XLogP2.08
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of methyl 5-(1-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxylate (CID 106828250) is methyl 5-(1-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for methyl 5-(1-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for methyl 5-(1-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxylate is COC(=O)c1nnc(C2(C)CCCCC2)o1.
What is the InChIKey of methyl 5-(1-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is WZAOZBDTJPCUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(6-4-3-5-7-11)10-13-12-8(16-10)9(14)15-2/h3-7H2,1-2H3.
What are the key properties of methyl 5-(1-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxylate?
methyl 5-(1-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 106828250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).