2-cyclohexyl-5-(methoxymethyl)-1,3,4-oxadiazole;ethane

C12H22N2O2 — CID 153404774

IUPAC2-cyclohexyl-5-(methoxymethyl)-1,3,4-oxadiazole;ethane
SMILESCC.COCc1nnc(C2CCCCC2)o1
InChIInChI=1S/C10H16N2O2.C2H6/c1-13-7-9-11-12-10(14-9)8-5-3-2-4-6-8;1-2/h8H,2-7H2,1H3;1-2H3
InChIKeyXBBFZZVSCOPEFG-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.29
Rot. Bonds3

About 2-cyclohexyl-5-(methoxymethyl)-1,3,4-oxadiazole;ethane

2-cyclohexyl-5-(methoxymethyl)-1,3,4-oxadiazole;ethane (PubChem CID 153404774) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-cyclohexyl-5-(methoxymethyl)-1,3,4-oxadiazole;ethane.

Molecular Properties

Compound Name2-cyclohexyl-5-(methoxymethyl)-1,3,4-oxadiazole;ethane
PubChem CID153404774
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-cyclohexyl-5-(methoxymethyl)-1,3,4-oxadiazole;ethane
SMILESCC.COCc1nnc(C2CCCCC2)o1
InChIInChI=1S/C10H16N2O2.C2H6/c1-13-7-9-11-12-10(14-9)8-5-3-2-4-6-8;1-2/h8H,2-7H2,1H3;1-2H3
InChIKeyXBBFZZVSCOPEFG-UHFFFAOYSA-N
XLogP3.29
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-(methoxymethyl)-1,3,4-oxadiazole;ethane?
The IUPAC name of 2-cyclohexyl-5-(methoxymethyl)-1,3,4-oxadiazole;ethane (CID 153404774) is 2-cyclohexyl-5-(methoxymethyl)-1,3,4-oxadiazole;ethane.
What is the SMILES notation for 2-cyclohexyl-5-(methoxymethyl)-1,3,4-oxadiazole;ethane?
The canonical SMILES for 2-cyclohexyl-5-(methoxymethyl)-1,3,4-oxadiazole;ethane is CC.COCc1nnc(C2CCCCC2)o1.
What is the InChIKey of 2-cyclohexyl-5-(methoxymethyl)-1,3,4-oxadiazole;ethane?
The InChIKey is XBBFZZVSCOPEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2.C2H6/c1-13-7-9-11-12-10(14-9)8-5-3-2-4-6-8;1-2/h8H,2-7H2,1H3;1-2H3.
What are the key properties of 2-cyclohexyl-5-(methoxymethyl)-1,3,4-oxadiazole;ethane?
2-cyclohexyl-5-(methoxymethyl)-1,3,4-oxadiazole;ethane has a molecular weight of 226.32 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-(methoxymethyl)-1,3,4-oxadiazole;ethane is sourced from PubChem (CID 153404774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).