N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4,5-dihydro-1,2-oxazole-3-carboxamide

C16H17F3N4O4 — CID 137480194

IUPACN-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2)C1=NOCC1
InChIInChI=1S/C16H17F3N4O4/c17-16(18,19)27-9-3-8(4-9)12-21-22-13(26-12)14-5-15(6-14,7-14)20-11(24)10-1-2-25-23-10/h8-9H,1-7H2,(H,20,24)
InChIKeyZBUSFLXOYAXHOJ-UHFFFAOYSA-N
MW386.33 g/mol
LogP1.92
Rot. Bonds5

About N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4,5-dihydro-1,2-oxazole-3-carboxamide

N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 137480194) has the molecular formula C16H17F3N4O4 and a molecular weight of 386.33 g/mol. Its IUPAC name is N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID137480194
Molecular FormulaC16H17F3N4O4
Molecular Weight386.33 g/mol
Exact Mass386.12
IUPAC NameN-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2)C1=NOCC1
InChIInChI=1S/C16H17F3N4O4/c17-16(18,19)27-9-3-8(4-9)12-21-22-13(26-12)14-5-15(6-14,7-14)20-11(24)10-1-2-25-23-10/h8-9H,1-7H2,(H,20,24)
InChIKeyZBUSFLXOYAXHOJ-UHFFFAOYSA-N
XLogP1.92
TPSA98.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4,5-dihydro-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 137480194) is N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2)C1=NOCC1.
What is the InChIKey of N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is ZBUSFLXOYAXHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O4/c17-16(18,19)27-9-3-8(4-9)12-21-22-13(26-12)14-5-15(6-14,7-14)20-11(24)10-1-2-25-23-10/h8-9H,1-7H2,(H,20,24).
What are the key properties of N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 386.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 137480194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).