cis-(1R,3S)-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride

C8H11ClF3N3O — CID 156760181

IUPACcis-(1R,3S)-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.N[C@@H]1CC[C@H](c2nc(C(F)(F)F)no2)C1
InChIInChI=1S/C8H10F3N3O.ClH/c9-8(10,11)7-13-6(15-14-7)4-1-2-5(12)3-4;/h4-5H,1-3,12H2;1H/t4-,5+;/m0./s1
InChIKeyHSWBVVCLMYTNDZ-UYXJWNHNSA-N
MW257.64 g/mol
LogP2.11
Rot. Bonds1

About cis-(1R,3S)-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride

cis-(1R,3S)-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 156760181) has the molecular formula C8H11ClF3N3O and a molecular weight of 257.64 g/mol. Its IUPAC name is cis-(1R,3S)-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1R,3S)-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride
PubChem CID156760181
Molecular FormulaC8H11ClF3N3O
Molecular Weight257.64 g/mol
Exact Mass257.05
IUPAC Namecis-(1R,3S)-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.N[C@@H]1CC[C@H](c2nc(C(F)(F)F)no2)C1
InChIInChI=1S/C8H10F3N3O.ClH/c9-8(10,11)7-13-6(15-14-7)4-1-2-5(12)3-4;/h4-5H,1-3,12H2;1H/t4-,5+;/m0./s1
InChIKeyHSWBVVCLMYTNDZ-UYXJWNHNSA-N
XLogP2.11
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.64
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323538
cis-(1S,3R)-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323602
3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66033169
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66031794
cis-(1S,3R)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 106323160
3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66030405
3-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66031395
5-spiro[3.3]heptan-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 160735530
cis-(1S,3R)-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323669
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66031194
cis-(1S,3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323133
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 64981970

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of cis-(1R,3S)-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride (CID 156760181) is cis-(1R,3S)-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1R,3S)-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for cis-(1R,3S)-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride is Cl.N[C@@H]1CC[C@H](c2nc(C(F)(F)F)no2)C1.
What is the InChIKey of cis-(1R,3S)-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is HSWBVVCLMYTNDZ-UYXJWNHNSA-N. The full InChI is InChI=1S/C8H10F3N3O.ClH/c9-8(10,11)7-13-6(15-14-7)4-1-2-5(12)3-4;/h4-5H,1-3,12H2;1H/t4-,5+;/m0./s1.
What are the key properties of cis-(1R,3S)-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride?
cis-(1R,3S)-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 257.64 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 156760181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).