N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)bicyclo[3.1.0]hexane-3-carboxamide

C13H18N4O2 — CID 102703484

IUPACN-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1nnc(C2CCCN2)o1)C1CC2CC2C1
InChIInChI=1S/C13H18N4O2/c18-11(9-5-7-4-8(7)6-9)15-13-17-16-12(19-13)10-2-1-3-14-10/h7-10,14H,1-6H2,(H,15,17,18)
InChIKeyCMLKPMHTNRMZNZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.48
Rot. Bonds3

About N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)bicyclo[3.1.0]hexane-3-carboxamide

N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 102703484) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID102703484
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1nnc(C2CCCN2)o1)C1CC2CC2C1
InChIInChI=1S/C13H18N4O2/c18-11(9-5-7-4-8(7)6-9)15-13-17-16-12(19-13)10-2-1-3-14-10/h7-10,14H,1-6H2,(H,15,17,18)
InChIKeyCMLKPMHTNRMZNZ-UHFFFAOYSA-N
XLogP1.48
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)bicyclo[3.1.0]hexane-3-carboxamide (CID 102703484) is N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)bicyclo[3.1.0]hexane-3-carboxamide is O=C(Nc1nnc(C2CCCN2)o1)C1CC2CC2C1.
What is the InChIKey of N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is CMLKPMHTNRMZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-11(9-5-7-4-8(7)6-9)15-13-17-16-12(19-13)10-2-1-3-14-10/h7-10,14H,1-6H2,(H,15,17,18).
What are the key properties of N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)bicyclo[3.1.0]hexane-3-carboxamide?
N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 102703484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).