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

C10H16F3N3O — CID 63350373

IUPACN-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCC(c1nc(CC(F)(F)F)no1)C(C)NC
InChIInChI=1S/C10H16F3N3O/c1-4-7(6(2)14-3)9-15-8(16-17-9)5-10(11,12)13/h6-7,14H,4-5H2,1-3H3
InChIKeyYLICIXJTYRIAKV-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.28
Rot. Bonds5

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

N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 63350373) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID63350373
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC NameN-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCC(c1nc(CC(F)(F)F)no1)C(C)NC
InChIInChI=1S/C10H16F3N3O/c1-4-7(6(2)14-3)9-15-8(16-17-9)5-10(11,12)13/h6-7,14H,4-5H2,1-3H3
InChIKeyYLICIXJTYRIAKV-UHFFFAOYSA-N
XLogP2.28
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Methylbutyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 44457699
"N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3,3-trifluoropropanamide"
CID 91917590
3-Methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole hydrochloride
CID 134691093
4-[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]piperidine hydrochloride
CID 165951073
2-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 91917570
3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 91917571
2-methyl-N-[(2R)-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine
CID 59777383
2-methyl-N-[(2S)-1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]propan-2-amine
CID 59777385
2-methyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine
CID 59777394
2-methyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propyl]propan-2-amine
CID 59777406
2-methyl-N-[(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine
CID 59777423
2-methyl-N-[1,1,1-trifluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]propan-2-amine
CID 59777447

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 63350373) is N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCC(c1nc(CC(F)(F)F)no1)C(C)NC.
What is the InChIKey of N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is YLICIXJTYRIAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-4-7(6(2)14-3)9-15-8(16-17-9)5-10(11,12)13/h6-7,14H,4-5H2,1-3H3.
What are the key properties of N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 251.25 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 63350373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).