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

C8H12F3N3O — CID 70796035

IUPAC(2R)-N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCN[C@H](C)Cc1nc(C(F)(F)F)no1
InChIInChI=1S/C8H12F3N3O/c1-3-12-5(2)4-6-13-7(14-15-6)8(9,10)11/h5,12H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyQYMALEYFCOVNMV-RXMQYKEDSA-N
MW223.20 g/mol
LogP1.63
Rot. Bonds4

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

(2R)-N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 70796035) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is (2R)-N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name(2R)-N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID70796035
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name(2R)-N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCN[C@H](C)Cc1nc(C(F)(F)F)no1
InChIInChI=1S/C8H12F3N3O/c1-3-12-5(2)4-6-13-7(14-15-6)8(9,10)11/h5,12H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyQYMALEYFCOVNMV-RXMQYKEDSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of (2R)-N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 70796035) is (2R)-N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for (2R)-N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for (2R)-N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CCN[C@H](C)Cc1nc(C(F)(F)F)no1.
What is the InChIKey of (2R)-N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is QYMALEYFCOVNMV-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-3-12-5(2)4-6-13-7(14-15-6)8(9,10)11/h5,12H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of (2R)-N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
(2R)-N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 223.20 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 70796035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).