3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine

C7H8F3N3O2 — CID 63333278

IUPAC3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine
SMILESNC1(c2noc(C(F)(F)F)n2)CCOC1
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)5-12-4(13-15-5)6(11)1-2-14-3-6/h1-3,11H2
InChIKeyXTISPIXHFUGMKK-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.66
Rot. Bonds1

About 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine

3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine (PubChem CID 63333278) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine.

Molecular Properties

Compound Name3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine
PubChem CID63333278
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine
SMILESNC1(c2noc(C(F)(F)F)n2)CCOC1
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)5-12-4(13-15-5)6(11)1-2-14-3-6/h1-3,11H2
InChIKeyXTISPIXHFUGMKK-UHFFFAOYSA-N
XLogP0.66
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 91641536
3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine
CID 131153675
5,5-dimethyl-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thian-3-amine
CID 79947623
4-ethyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 65085475
1-[5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 104632814
1-propyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]azepan-4-amine
CID 65077945
1-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 104632823
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 64888058
4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydrothiochromen-4-amine
CID 43560032
5-fluoro-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroinden-1-amine
CID 116531567
3-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-amine
CID 114510229
1-[5-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114105914

Frequently Asked Questions

What is the IUPAC name of 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine?
The IUPAC name of 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine (CID 63333278) is 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine.
What is the SMILES notation for 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine?
The canonical SMILES for 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine is NC1(c2noc(C(F)(F)F)n2)CCOC1.
What is the InChIKey of 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine?
The InChIKey is XTISPIXHFUGMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c8-7(9,10)5-12-4(13-15-5)6(11)1-2-14-3-6/h1-3,11H2.
What are the key properties of 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine?
3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine has a molecular weight of 223.15 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine is sourced from PubChem (CID 63333278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).