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

C7H10F3N3O — CID 82007871

IUPACN-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCNC(C)(C)c1nc(C(F)(F)F)no1
InChIInChI=1S/C7H10F3N3O/c1-6(2,11-3)5-12-4(13-14-5)7(8,9)10/h11H,1-3H3
InChIKeyYOBKRBBDLDHDHF-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.54
Rot. Bonds2

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

N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 82007871) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID82007871
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC NameN-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCNC(C)(C)c1nc(C(F)(F)F)no1
InChIInChI=1S/C7H10F3N3O/c1-6(2,11-3)5-12-4(13-14-5)7(8,9)10/h11H,1-3H3
InChIKeyYOBKRBBDLDHDHF-UHFFFAOYSA-N
XLogP1.54
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Isopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine
CID 28063751
2-(3-Methyl-1,2,4-oxadiazol-5-yl)propan-2-amine hydrochloride
CID 90402302
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine
CID 25220847
((3-Ethyl-1,2,4-oxadiazol-5-yl)methyl)(methyl)amine hydrochloride
CID 46737072
1-[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethan-1-amine hydrochloride
CID 121553472
2-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)propan-2-amine hydrochloride
CID 177801031
Methyl({[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl})amine
CID 56760730
5-(Piperazin-1-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 55057881
N-propan-2-yl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine
CID 58430908
1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylcyclopropan-1-amine
CID 58430954
N-propan-2-yl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
CID 58431011
2-methyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propyl]propan-2-amine
CID 59777406

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 82007871) is N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CNC(C)(C)c1nc(C(F)(F)F)no1.
What is the InChIKey of N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is YOBKRBBDLDHDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-6(2,11-3)5-12-4(13-14-5)7(8,9)10/h11H,1-3H3.
What are the key properties of N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 209.17 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82007871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).