methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate

C11H16N2O3 — CID 67469261

IUPACmethyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1c1nnc(C)o1
InChIInChI=1S/C11H16N2O3/c1-7-12-13-10(16-7)8-5-3-4-6-9(8)11(14)15-2/h8-9H,3-6H2,1-2H3
InChIKeyNBYSNAUYKPSSSQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.82
Rot. Bonds2

About methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate

methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate (PubChem CID 67469261) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate
PubChem CID67469261
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namemethyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1c1nnc(C)o1
InChIInChI=1S/C11H16N2O3/c1-7-12-13-10(16-7)8-5-3-4-6-9(8)11(14)15-2/h8-9H,3-6H2,1-2H3
InChIKeyNBYSNAUYKPSSSQ-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate (CID 67469261) is methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate is COC(=O)C1CCCCC1c1nnc(C)o1.
What is the InChIKey of methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate?
The InChIKey is NBYSNAUYKPSSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-12-13-10(16-7)8-5-3-4-6-9(8)11(14)15-2/h8-9H,3-6H2,1-2H3.
What are the key properties of methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate?
methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 67469261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).