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

C7H10F3N3O — CID 62595399

IUPACN-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine
SMILESCC(C)Nc1nc(CC(F)(F)F)no1
InChIInChI=1S/C7H10F3N3O/c1-4(2)11-6-12-5(13-14-6)3-7(8,9)10/h4H,3H2,1-2H3,(H,11,12,13)
InChIKeySDOLKAXZTHSXFN-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.99
Rot. Bonds3

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

N-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 62595399) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is N-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine
PubChem CID62595399
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC NameN-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine
SMILESCC(C)Nc1nc(CC(F)(F)F)no1
InChIInChI=1S/C7H10F3N3O/c1-4(2)11-6-12-5(13-14-6)3-7(8,9)10/h4H,3H2,1-2H3,(H,11,12,13)
InChIKeySDOLKAXZTHSXFN-UHFFFAOYSA-N
XLogP1.99
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine (CID 62595399) is N-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine is CC(C)Nc1nc(CC(F)(F)F)no1.
What is the InChIKey of N-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is SDOLKAXZTHSXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-4(2)11-6-12-5(13-14-6)3-7(8,9)10/h4H,3H2,1-2H3,(H,11,12,13).
What are the key properties of N-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine?
N-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 209.17 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62595399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).