5-(3-bicyclo[3.2.1]octanyl)-3-ethyl-1,2,4-oxadiazole

C12H18N2O — CID 58097309

IUPAC5-(3-bicyclo[3.2.1]octanyl)-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(C2CC3CCC(C3)C2)n1
InChIInChI=1S/C12H18N2O/c1-2-11-13-12(15-14-11)10-6-8-3-4-9(5-8)7-10/h8-10H,2-7H2,1H3
InChIKeyHZJGGXMZJKSPQC-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.93
Rot. Bonds2

About 5-(3-bicyclo[3.2.1]octanyl)-3-ethyl-1,2,4-oxadiazole

5-(3-bicyclo[3.2.1]octanyl)-3-ethyl-1,2,4-oxadiazole (PubChem CID 58097309) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-(3-bicyclo[3.2.1]octanyl)-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-bicyclo[3.2.1]octanyl)-3-ethyl-1,2,4-oxadiazole
PubChem CID58097309
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-(3-bicyclo[3.2.1]octanyl)-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(C2CC3CCC(C3)C2)n1
InChIInChI=1S/C12H18N2O/c1-2-11-13-12(15-14-11)10-6-8-3-4-9(5-8)7-10/h8-10H,2-7H2,1H3
InChIKeyHZJGGXMZJKSPQC-UHFFFAOYSA-N
XLogP2.93
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bicyclo[3.2.1]octanyl)-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-bicyclo[3.2.1]octanyl)-3-ethyl-1,2,4-oxadiazole (CID 58097309) is 5-(3-bicyclo[3.2.1]octanyl)-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-bicyclo[3.2.1]octanyl)-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-bicyclo[3.2.1]octanyl)-3-ethyl-1,2,4-oxadiazole is CCc1noc(C2CC3CCC(C3)C2)n1.
What is the InChIKey of 5-(3-bicyclo[3.2.1]octanyl)-3-ethyl-1,2,4-oxadiazole?
The InChIKey is HZJGGXMZJKSPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-11-13-12(15-14-11)10-6-8-3-4-9(5-8)7-10/h8-10H,2-7H2,1H3.
What are the key properties of 5-(3-bicyclo[3.2.1]octanyl)-3-ethyl-1,2,4-oxadiazole?
5-(3-bicyclo[3.2.1]octanyl)-3-ethyl-1,2,4-oxadiazole has a molecular weight of 206.29 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bicyclo[3.2.1]octanyl)-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 58097309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).