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

C15H23N3O — CID 55039170

IUPACN-[3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
SMILESC(CNC1CC1)Cc1nnc(C2CC3CCC2C3)o1
InChIInChI=1S/C15H23N3O/c1(7-16-12-5-6-12)2-14-17-18-15(19-14)13-9-10-3-4-11(13)8-10/h10-13,16H,1-9H2
InChIKeyOQKWTHGKGXNUIW-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.66
Rot. Bonds6

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

N-[3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine (PubChem CID 55039170) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
PubChem CID55039170
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
SMILESC(CNC1CC1)Cc1nnc(C2CC3CCC2C3)o1
InChIInChI=1S/C15H23N3O/c1(7-16-12-5-6-12)2-14-17-18-15(19-14)13-9-10-3-4-11(13)8-10/h10-13,16H,1-9H2
InChIKeyOQKWTHGKGXNUIW-UHFFFAOYSA-N
XLogP2.66
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine (CID 55039170) is N-[3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine is C(CNC1CC1)Cc1nnc(C2CC3CCC2C3)o1.
What is the InChIKey of N-[3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The InChIKey is OQKWTHGKGXNUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1(7-16-12-5-6-12)2-14-17-18-15(19-14)13-9-10-3-4-11(13)8-10/h10-13,16H,1-9H2.
What are the key properties of N-[3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
N-[3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine has a molecular weight of 261.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine is sourced from PubChem (CID 55039170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).