3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride

C8H11ClF3N3O — CID 134691093

IUPAC3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
SMILESCc1noc(C2(C(F)(F)F)CCNC2)n1.Cl
InChIInChI=1S/C8H10F3N3O.ClH/c1-5-13-6(15-14-5)7(8(9,10)11)2-3-12-4-7;/h12H,2-4H2,1H3;1H
InChIKeyZZRCCQZJDMREPD-UHFFFAOYSA-N
MW257.64 g/mol
LogP1.59
Rot. Bonds1

About 3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride

3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 134691093) has the molecular formula C8H11ClF3N3O and a molecular weight of 257.64 g/mol. Its IUPAC name is 3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
PubChem CID134691093
Molecular FormulaC8H11ClF3N3O
Molecular Weight257.64 g/mol
Exact Mass257.05
IUPAC Name3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
SMILESCc1noc(C2(C(F)(F)F)CCNC2)n1.Cl
InChIInChI=1S/C8H10F3N3O.ClH/c1-5-13-6(15-14-5)7(8(9,10)11)2-3-12-4-7;/h12H,2-4H2,1H3;1H
InChIKeyZZRCCQZJDMREPD-UHFFFAOYSA-N
XLogP1.59
TPSA50.95 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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride (CID 134691093) is 3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride is Cc1noc(C2(C(F)(F)F)CCNC2)n1.Cl.
What is the InChIKey of 3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is ZZRCCQZJDMREPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O.ClH/c1-5-13-6(15-14-5)7(8(9,10)11)2-3-12-4-7;/h12H,2-4H2,1H3;1H.
What are the key properties of 3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride?
3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 257.64 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 134691093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).