3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[2.2.0]hexan-1-amine

C13H16F3N3O2 — CID 167268267

IUPAC3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[2.2.0]hexan-1-amine
SMILESNC12CCC1C(c1nnc(C3CC(OC(F)(F)F)C3)o1)C2
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)21-7-3-6(4-7)10-18-19-11(20-10)8-5-12(17)2-1-9(8)12/h6-9H,1-5,17H2
InChIKeyOXMOMTHKBJBCIW-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.45
Rot. Bonds3

About 3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[2.2.0]hexan-1-amine

3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[2.2.0]hexan-1-amine (PubChem CID 167268267) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[2.2.0]hexan-1-amine.

Molecular Properties

Compound Name3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[2.2.0]hexan-1-amine
PubChem CID167268267
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[2.2.0]hexan-1-amine
SMILESNC12CCC1C(c1nnc(C3CC(OC(F)(F)F)C3)o1)C2
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)21-7-3-6(4-7)10-18-19-11(20-10)8-5-12(17)2-1-9(8)12/h6-9H,1-5,17H2
InChIKeyOXMOMTHKBJBCIW-UHFFFAOYSA-N
XLogP2.45
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[2.2.0]hexan-1-amine with MolForge

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Related Compounds

(3S)-3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[2.1.1]hexan-1-amine
CID 174265121
2-[(2S)-oxan-2-yl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazole
CID 142540033
(3S,6S)-4,4-difluoro-6-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]oxan-3-amine;hydrochloride
CID 155211562
[(3R,6S)-6-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]oxan-3-yl]carbamic acid;hydrochloride
CID 155211535
[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
CID 137480136
N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]formamide
CID 167268182
2-[(3S)-3-methylcyclopentyl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 158649857
N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide
CID 167268085
CID 174030837
CID 174030837
2-(4-chlorophenoxy)-N-[(2R)-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-bicyclo[2.1.1]hexanyl]acetamide
CID 170641711
(2S,4S)-6-chloro-4-hydroxy-N-[(1R,2S,4R,5S)-5-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 175696514
(2S,4S)-6-chloro-4-hydroxy-N-[5-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 155254531

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[2.2.0]hexan-1-amine?
The IUPAC name of 3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[2.2.0]hexan-1-amine (CID 167268267) is 3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[2.2.0]hexan-1-amine.
What is the SMILES notation for 3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[2.2.0]hexan-1-amine?
The canonical SMILES for 3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[2.2.0]hexan-1-amine is NC12CCC1C(c1nnc(C3CC(OC(F)(F)F)C3)o1)C2.
What is the InChIKey of 3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[2.2.0]hexan-1-amine?
The InChIKey is OXMOMTHKBJBCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)21-7-3-6(4-7)10-18-19-11(20-10)8-5-12(17)2-1-9(8)12/h6-9H,1-5,17H2.
What are the key properties of 3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[2.2.0]hexan-1-amine?
3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[2.2.0]hexan-1-amine has a molecular weight of 303.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[2.2.0]hexan-1-amine is sourced from PubChem (CID 167268267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).