4-[2-[(1R,5R)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexan-1-amine

C17H24F3N3O — CID 156622133

IUPAC4-[2-[(1R,5R)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2C[C@@H]3C[C@]3(c3cc(C(F)(F)F)on3)C2)CC1
InChIInChI=1S/C17H24F3N3O/c18-17(19,20)15-7-14(22-24-15)16-8-12(16)9-23(10-16)6-5-11-1-3-13(21)4-2-11/h7,11-13H,1-6,8-10,21H2/t11?,12-,13?,16-/m0/s1
InChIKeyGIBOAIVQAAZVPH-UWTNAYQSSA-N
MW343.39 g/mol
LogP3.17
Rot. Bonds4

About 4-[2-[(1R,5R)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexan-1-amine

4-[2-[(1R,5R)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexan-1-amine (PubChem CID 156622133) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-[2-[(1R,5R)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-[(1R,5R)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexan-1-amine
PubChem CID156622133
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC Name4-[2-[(1R,5R)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2C[C@@H]3C[C@]3(c3cc(C(F)(F)F)on3)C2)CC1
InChIInChI=1S/C17H24F3N3O/c18-17(19,20)15-7-14(22-24-15)16-8-12(16)9-23(10-16)6-5-11-1-3-13(21)4-2-11/h7,11-13H,1-6,8-10,21H2/t11?,12-,13?,16-/m0/s1
InChIKeyGIBOAIVQAAZVPH-UWTNAYQSSA-N
XLogP3.17
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 156077256
N-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-ethyl-6-oxopyridine-2-carboxamide
CID 156077332
N-[4-[2-[(1R,5R)-1-(5-ethyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 156077313
2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclohexylacetamide
CID 40777334
N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-1-methylpiperidin-4-amine
CID 56774053
2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-cyclopropylacetamide
CID 26743248
Tert-butyl 1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 71250511
3-(3-Azabicyclo[3.1.0]hexan-1-yl)-5-(trifluoromethyl)isoxazole
CID 71250531
3-(3-Azabicyclo[3.1.0]hexan-1-yl)-4-methyl-5-(trifluoromethyl)-1,2-oxazole
CID 71250535
3-(7-Azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,2-oxazole
CID 90736523
3-(5-Tert-butyl-1,2-oxazol-3-yl)-1-[1-(4,4-difluorocyclohexanecarbonyl)pyrrolidin-2-yl]-3-iminopropan-1-one
CID 91247065
3-(4-fluorocyclohexyl)-5-[(2S,3R,5R)-8-methyl-3-(4-methylcyclohexyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole
CID 140444885

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1R,5R)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-[(1R,5R)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexan-1-amine (CID 156622133) is 4-[2-[(1R,5R)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-[(1R,5R)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-[(1R,5R)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexan-1-amine is NC1CCC(CCN2C[C@@H]3C[C@]3(c3cc(C(F)(F)F)on3)C2)CC1.
What is the InChIKey of 4-[2-[(1R,5R)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexan-1-amine?
The InChIKey is GIBOAIVQAAZVPH-UWTNAYQSSA-N. The full InChI is InChI=1S/C17H24F3N3O/c18-17(19,20)15-7-14(22-24-15)16-8-12(16)9-23(10-16)6-5-11-1-3-13(21)4-2-11/h7,11-13H,1-6,8-10,21H2/t11?,12-,13?,16-/m0/s1.
What are the key properties of 4-[2-[(1R,5R)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexan-1-amine?
4-[2-[(1R,5R)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexan-1-amine has a molecular weight of 343.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1R,5R)-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 156622133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).