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

C7H8F3N3O — CID 130899232

IUPAC1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine
SMILESNC1(Cc2nc(C(F)(F)F)no2)CC1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)5-12-4(14-13-5)3-6(11)1-2-6/h1-3,11H2
InChIKeyWAUJNPYULYCTOF-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.12
Rot. Bonds2

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

1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine (PubChem CID 130899232) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine
PubChem CID130899232
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC Name1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine
SMILESNC1(Cc2nc(C(F)(F)F)no2)CC1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)5-12-4(14-13-5)3-6(11)1-2-6/h1-3,11H2
InChIKeyWAUJNPYULYCTOF-UHFFFAOYSA-N
XLogP1.12
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 82007641
1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cycloheptane-1-carboxylic acid
CID 82008732
1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 116740268
[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 56763752
1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79846373
1-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 116704464
N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 56760730
5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 171533011
1-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-ol
CID 125452162
2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483607
4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 82008043
5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 169104879

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine (CID 130899232) is 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine is NC1(Cc2nc(C(F)(F)F)no2)CC1.
What is the InChIKey of 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine?
The InChIKey is WAUJNPYULYCTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c8-7(9,10)5-12-4(14-13-5)3-6(11)1-2-6/h1-3,11H2.
What are the key properties of 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine?
1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine has a molecular weight of 207.15 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 130899232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).