N-[3-[5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

C13H16F3N3O3 — CID 137480186

IUPACN-[3-[5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCC(=O)NC12CC(c3nnc(CCCOC(F)(F)F)o3)(C1)C2
InChIInChI=1S/C13H16F3N3O3/c1-8(20)17-12-5-11(6-12,7-12)10-19-18-9(22-10)3-2-4-21-13(14,15)16/h2-7H2,1H3,(H,17,20)
InChIKeyGRMFFZQEAGPMHV-UHFFFAOYSA-N
MW319.28 g/mol
LogP1.85
Rot. Bonds6

About N-[3-[5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

N-[3-[5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 137480186) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is N-[3-[5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID137480186
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC NameN-[3-[5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCC(=O)NC12CC(c3nnc(CCCOC(F)(F)F)o3)(C1)C2
InChIInChI=1S/C13H16F3N3O3/c1-8(20)17-12-5-11(6-12,7-12)10-19-18-9(22-10)3-2-4-21-13(14,15)16/h2-7H2,1H3,(H,17,20)
InChIKeyGRMFFZQEAGPMHV-UHFFFAOYSA-N
XLogP1.85
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of N-[3-[5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 137480186) is N-[3-[5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for N-[3-[5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for N-[3-[5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is CC(=O)NC12CC(c3nnc(CCCOC(F)(F)F)o3)(C1)C2.
What is the InChIKey of N-[3-[5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is GRMFFZQEAGPMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c1-8(20)17-12-5-11(6-12,7-12)10-19-18-9(22-10)3-2-4-21-13(14,15)16/h2-7H2,1H3,(H,17,20).
What are the key properties of N-[3-[5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
N-[3-[5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 319.28 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[3-(trifluoromethoxy)propyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 137480186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).