2-[(2R)-1-(3-azabicyclo[3.2.1]octan-3-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C20H23F3N4O2 — CID 140897758

IUPAC2-[(2R)-1-(3-azabicyclo[3.2.1]octan-3-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESC[C@@H](CN1CC2CCC(C2)C1)c1cc(-c2noc(C(F)(F)F)n2)ccc1C(N)=O
InChIInChI=1S/C20H23F3N4O2/c1-11(8-27-9-12-2-3-13(6-12)10-27)16-7-14(4-5-15(16)17(24)28)18-25-19(29-26-18)20(21,22)23/h4-5,7,11-13H,2-3,6,8-10H2,1H3,(H2,24,28)/t11-,12?,13?/m0/s1
InChIKeyVFHZWKFXOYSACJ-HIFPTAJRSA-N
MW408.42 g/mol
LogP3.69
Rot. Bonds5

About 2-[(2R)-1-(3-azabicyclo[3.2.1]octan-3-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

2-[(2R)-1-(3-azabicyclo[3.2.1]octan-3-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 140897758) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is 2-[(2R)-1-(3-azabicyclo[3.2.1]octan-3-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name2-[(2R)-1-(3-azabicyclo[3.2.1]octan-3-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID140897758
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC Name2-[(2R)-1-(3-azabicyclo[3.2.1]octan-3-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESC[C@@H](CN1CC2CCC(C2)C1)c1cc(-c2noc(C(F)(F)F)n2)ccc1C(N)=O
InChIInChI=1S/C20H23F3N4O2/c1-11(8-27-9-12-2-3-13(6-12)10-27)16-7-14(4-5-15(16)17(24)28)18-25-19(29-26-18)20(21,22)23/h4-5,7,11-13H,2-3,6,8-10H2,1H3,(H2,24,28)/t11-,12?,13?/m0/s1
InChIKeyVFHZWKFXOYSACJ-HIFPTAJRSA-N
XLogP3.69
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-azabicyclo[3.2.1]octan-3-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 122669523
N-[1-[(5R)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 122669521
2-(4-ethynylphenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 175729542
2-fluoro-N-methyl-N-(2-methylpropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138489873
2-(4-bromonaphthalen-1-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 175729381
N-(1-benzylpiperidin-4-yl)-2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138489850
[(1R)-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl] carbamate
CID 142514355
(3S)-1-[2-(methylamino)-2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]pyrrolidin-3-ol
CID 153135594
N-cyclopropyl-2,2-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
CID 155768332
2-(1,3-benzothiazol-5-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 175729449
3-(2-methylpropyl)-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidine-1-carboxamide
CID 126793429
4-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pentanamide
CID 120561997

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(3-azabicyclo[3.2.1]octan-3-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of 2-[(2R)-1-(3-azabicyclo[3.2.1]octan-3-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 140897758) is 2-[(2R)-1-(3-azabicyclo[3.2.1]octan-3-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 2-[(2R)-1-(3-azabicyclo[3.2.1]octan-3-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for 2-[(2R)-1-(3-azabicyclo[3.2.1]octan-3-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is C[C@@H](CN1CC2CCC(C2)C1)c1cc(-c2noc(C(F)(F)F)n2)ccc1C(N)=O.
What is the InChIKey of 2-[(2R)-1-(3-azabicyclo[3.2.1]octan-3-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is VFHZWKFXOYSACJ-HIFPTAJRSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c1-11(8-27-9-12-2-3-13(6-12)10-27)16-7-14(4-5-15(16)17(24)28)18-25-19(29-26-18)20(21,22)23/h4-5,7,11-13H,2-3,6,8-10H2,1H3,(H2,24,28)/t11-,12?,13?/m0/s1.
What are the key properties of 2-[(2R)-1-(3-azabicyclo[3.2.1]octan-3-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
2-[(2R)-1-(3-azabicyclo[3.2.1]octan-3-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 408.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(3-azabicyclo[3.2.1]octan-3-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 140897758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).