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

C8H12F3N3O — CID 62859615

IUPACN-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCC(NC)c1nnc(CC(F)(F)F)o1
InChIInChI=1S/C8H12F3N3O/c1-3-5(12-2)7-14-13-6(15-7)4-8(9,10)11/h5,12H,3-4H2,1-2H3
InChIKeyYDXRMMKAHFCOKO-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.84
Rot. Bonds4

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

N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 62859615) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID62859615
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC NameN-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCC(NC)c1nnc(CC(F)(F)F)o1
InChIInChI=1S/C8H12F3N3O/c1-3-5(12-2)7-14-13-6(15-7)4-8(9,10)11/h5,12H,3-4H2,1-2H3
InChIKeyYDXRMMKAHFCOKO-UHFFFAOYSA-N
XLogP1.84
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62857091
1-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylpropan-1-amine
CID 62859102
1-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62859269
1-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62858085
N-methyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63190034
1-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 55124209
N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65216143
N-methyl-1-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63080882
N-methyl-1-[5-(2-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62859270
1-[5-(3-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 81263147
N-ethyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62137800
1-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62857445

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 62859615) is N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CCC(NC)c1nnc(CC(F)(F)F)o1.
What is the InChIKey of N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is YDXRMMKAHFCOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-3-5(12-2)7-14-13-6(15-7)4-8(9,10)11/h5,12H,3-4H2,1-2H3.
What are the key properties of N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 223.20 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 62859615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).