(1S,3S,5R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide

C11H13F3N4O2 — CID 176677612

IUPAC(1S,3S,5R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESCc1nnc([C@@]23C[C@@H](C[C@H](C(F)(F)F)C2)N3C(N)=O)o1
InChIInChI=1S/C11H13F3N4O2/c1-5-16-17-8(20-5)10-3-6(11(12,13)14)2-7(4-10)18(10)9(15)19/h6-7H,2-4H2,1H3,(H2,15,19)/t6-,7+,10-/m0/s1
InChIKeyKUQMJXMPNUXNPU-PJKMHFRUSA-N
MW290.25 g/mol
LogP1.70
Rot. Bonds1

About (1S,3S,5R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide

(1S,3S,5R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide (PubChem CID 176677612) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is (1S,3S,5R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide.

Molecular Properties

Compound Name(1S,3S,5R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide
PubChem CID176677612
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC Name(1S,3S,5R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESCc1nnc([C@@]23C[C@@H](C[C@H](C(F)(F)F)C2)N3C(N)=O)o1
InChIInChI=1S/C11H13F3N4O2/c1-5-16-17-8(20-5)10-3-6(11(12,13)14)2-7(4-10)18(10)9(15)19/h6-7H,2-4H2,1H3,(H2,15,19)/t6-,7+,10-/m0/s1
InChIKeyKUQMJXMPNUXNPU-PJKMHFRUSA-N
XLogP1.70
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,3S,5R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,3S,5R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The IUPAC name of (1S,3S,5R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide (CID 176677612) is (1S,3S,5R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide.
What is the SMILES notation for (1S,3S,5R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The canonical SMILES for (1S,3S,5R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide is Cc1nnc([C@@]23C[C@@H](C[C@H](C(F)(F)F)C2)N3C(N)=O)o1.
What is the InChIKey of (1S,3S,5R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The InChIKey is KUQMJXMPNUXNPU-PJKMHFRUSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c1-5-16-17-8(20-5)10-3-6(11(12,13)14)2-7(4-10)18(10)9(15)19/h6-7H,2-4H2,1H3,(H2,15,19)/t6-,7+,10-/m0/s1.
What are the key properties of (1S,3S,5R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide?
(1S,3S,5R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide has a molecular weight of 290.25 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide is sourced from PubChem (CID 176677612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).