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

C10H16F3N3O — CID 59777383

IUPAC2-methyl-N-[(2R)-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine
SMILESC[C@H](Cc1nc(C(F)(F)F)no1)NC(C)(C)C
InChIInChI=1S/C10H16F3N3O/c1-6(15-9(2,3)4)5-7-14-8(16-17-7)10(11,12)13/h6,15H,5H2,1-4H3/t6-/m1/s1
InChIKeyCNIODFYLGVRHLU-ZCFIWIBFSA-N
MW251.25 g/mol
LogP2.41
Rot. Bonds3

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

2-methyl-N-[(2R)-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine (PubChem CID 59777383) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-methyl-N-[(2R)-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(2R)-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine
PubChem CID59777383
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name2-methyl-N-[(2R)-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine
SMILESC[C@H](Cc1nc(C(F)(F)F)no1)NC(C)(C)C
InChIInChI=1S/C10H16F3N3O/c1-6(15-9(2,3)4)5-7-14-8(16-17-7)10(11,12)13/h6,15H,5H2,1-4H3/t6-/m1/s1
InChIKeyCNIODFYLGVRHLU-ZCFIWIBFSA-N
XLogP2.41
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R)-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(2R)-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine (CID 59777383) is 2-methyl-N-[(2R)-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(2R)-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(2R)-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine is C[C@H](Cc1nc(C(F)(F)F)no1)NC(C)(C)C.
What is the InChIKey of 2-methyl-N-[(2R)-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine?
The InChIKey is CNIODFYLGVRHLU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-6(15-9(2,3)4)5-7-14-8(16-17-7)10(11,12)13/h6,15H,5H2,1-4H3/t6-/m1/s1.
What are the key properties of 2-methyl-N-[(2R)-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine?
2-methyl-N-[(2R)-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine has a molecular weight of 251.25 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2R)-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]propan-2-amine is sourced from PubChem (CID 59777383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).