1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride

C10H16ClF3N4O2 — CID 120751826

IUPAC1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride
SMILESCl.NCc1nc(CN2CCCC2C(O)C(F)(F)F)no1
InChIInChI=1S/C10H15F3N4O2.ClH/c11-10(12,13)9(18)6-2-1-3-17(6)5-7-15-8(4-14)19-16-7;/h6,9,18H,1-5,14H2;1H
InChIKeyYZMDLEVGYBLJII-UHFFFAOYSA-N
MW316.71 g/mol
LogP0.84
Rot. Bonds4

About 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride

1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride (PubChem CID 120751826) has the molecular formula C10H16ClF3N4O2 and a molecular weight of 316.71 g/mol. Its IUPAC name is 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride.

Molecular Properties

Compound Name1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride
PubChem CID120751826
Molecular FormulaC10H16ClF3N4O2
Molecular Weight316.71 g/mol
Exact Mass316.09
IUPAC Name1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride
SMILESCl.NCc1nc(CN2CCCC2C(O)C(F)(F)F)no1
InChIInChI=1S/C10H15F3N4O2.ClH/c11-10(12,13)9(18)6-2-1-3-17(6)5-7-15-8(4-14)19-16-7;/h6,9,18H,1-5,14H2;1H
InChIKeyYZMDLEVGYBLJII-UHFFFAOYSA-N
XLogP0.84
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride with MolForge

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Related Compounds

[3-[(2-cyclobutylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751601
(1R)-2,2,2-trifluoro-1-[(2R)-1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]ethanol
CID 99848982
[3-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752744
[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 120751518
[3-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751343
[3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120750621
[3-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752741
[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 120751519
[3-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752368
5-ethyl-3-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126836051
1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol
CID 114218079
[3-[[2-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120750995

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride?
The IUPAC name of 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride (CID 120751826) is 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride.
What is the SMILES notation for 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride?
The canonical SMILES for 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride is Cl.NCc1nc(CN2CCCC2C(O)C(F)(F)F)no1.
What is the InChIKey of 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride?
The InChIKey is YZMDLEVGYBLJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2.ClH/c11-10(12,13)9(18)6-2-1-3-17(6)5-7-15-8(4-14)19-16-7;/h6,9,18H,1-5,14H2;1H.
What are the key properties of 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride?
1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride has a molecular weight of 316.71 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride is sourced from PubChem (CID 120751826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).