2-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]morpholine

C13H19N3O2 — CID 103972015

IUPAC2-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESC1COC(c2noc(C3CC4CCC3C4)n2)CN1
InChIInChI=1S/C13H19N3O2/c1-2-9-5-8(1)6-10(9)13-15-12(16-18-13)11-7-14-3-4-17-11/h8-11,14H,1-7H2
InChIKeyAQPZCACPAPABJH-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.63
Rot. Bonds2

About 2-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]morpholine

2-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 103972015) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name2-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID103972015
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESC1COC(c2noc(C3CC4CCC3C4)n2)CN1
InChIInChI=1S/C13H19N3O2/c1-2-9-5-8(1)6-10(9)13-15-12(16-18-13)11-7-14-3-4-17-11/h8-11,14H,1-7H2
InChIKeyAQPZCACPAPABJH-UHFFFAOYSA-N
XLogP1.63
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972002
2-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972028
2-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)morpholine
CID 103972025
3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107071027
5-(2-bicyclo[2.2.1]heptanyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63342879
2-[5-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971824
2-[5-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971991
2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 86276549
N-ethyl-N-[(3-morpholin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 138059178
2-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 104630877
2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971807
2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 64982138

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 2-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]morpholine (CID 103972015) is 2-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 2-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 2-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]morpholine is C1COC(c2noc(C3CC4CCC3C4)n2)CN1.
What is the InChIKey of 2-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is AQPZCACPAPABJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-9-5-8(1)6-10(9)13-15-12(16-18-13)11-7-14-3-4-17-11/h8-11,14H,1-7H2.
What are the key properties of 2-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]morpholine?
2-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 249.31 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 103972015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).