N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine

C13H22N4O2 — CID 106963337

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NC2CC3CCC2O3)o1
InChIInChI=1S/C13H22N4O2/c1-3-6-14-8(2)12-16-17-13(19-12)15-10-7-9-4-5-11(10)18-9/h8-11,14H,3-7H2,1-2H3,(H,15,17)
InChIKeyWXTRTCSHMYQRKS-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.86
Rot. Bonds6

About N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine

N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106963337) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106963337
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NC2CC3CCC2O3)o1
InChIInChI=1S/C13H22N4O2/c1-3-6-14-8(2)12-16-17-13(19-12)15-10-7-9-4-5-11(10)18-9/h8-11,14H,3-7H2,1-2H3,(H,15,17)
InChIKeyWXTRTCSHMYQRKS-UHFFFAOYSA-N
XLogP1.86
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106963337) is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(NC2CC3CCC2O3)o1.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is WXTRTCSHMYQRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-6-14-8(2)12-16-17-13(19-12)15-10-7-9-4-5-11(10)18-9/h8-11,14H,3-7H2,1-2H3,(H,15,17).
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 266.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).