2-methyl-5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazole

C11H18N2O2 — CID 161499473

IUPAC2-methyl-5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazole
SMILESCc1nnc(CO[C@H]2CCC[C@@H](C)C2)o1
InChIInChI=1S/C11H18N2O2/c1-8-4-3-5-10(6-8)14-7-11-13-12-9(2)15-11/h8,10H,3-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyWGQLCKGYZBPLJM-SCZZXKLOSA-N
MW210.28 g/mol
LogP2.47
Rot. Bonds3

About 2-methyl-5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazole

2-methyl-5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazole (PubChem CID 161499473) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-methyl-5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazole
PubChem CID161499473
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-methyl-5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazole
SMILESCc1nnc(CO[C@H]2CCC[C@@H](C)C2)o1
InChIInChI=1S/C11H18N2O2/c1-8-4-3-5-10(6-8)14-7-11-13-12-9(2)15-11/h8,10H,3-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyWGQLCKGYZBPLJM-SCZZXKLOSA-N
XLogP2.47
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazole (CID 161499473) is 2-methyl-5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazole is Cc1nnc(CO[C@H]2CCC[C@@H](C)C2)o1.
What is the InChIKey of 2-methyl-5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazole?
The InChIKey is WGQLCKGYZBPLJM-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-4-3-5-10(6-8)14-7-11-13-12-9(2)15-11/h8,10H,3-7H2,1-2H3/t8-,10+/m1/s1.
What are the key properties of 2-methyl-5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazole?
2-methyl-5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazole has a molecular weight of 210.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 161499473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).