N-tert-butyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine

C10H14F3N3O — CID 59777429

IUPACN-tert-butyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
SMILESCC(C)(C)NC1(c2nc(C(F)(F)F)no2)CC1
InChIInChI=1S/C10H14F3N3O/c1-8(2,3)16-9(4-5-9)7-14-6(15-17-7)10(11,12)13/h16H,4-5H2,1-3H3
InChIKeyHXELNWGLETYGTN-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.47
Rot. Bonds2

About N-tert-butyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine

N-tert-butyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine (PubChem CID 59777429) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-tert-butyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
PubChem CID59777429
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-tert-butyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
SMILESCC(C)(C)NC1(c2nc(C(F)(F)F)no2)CC1
InChIInChI=1S/C10H14F3N3O/c1-8(2,3)16-9(4-5-9)7-14-6(15-17-7)10(11,12)13/h16H,4-5H2,1-3H3
InChIKeyHXELNWGLETYGTN-UHFFFAOYSA-N
XLogP2.47
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
The IUPAC name of N-tert-butyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine (CID 59777429) is N-tert-butyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine.
What is the SMILES notation for N-tert-butyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
The canonical SMILES for N-tert-butyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine is CC(C)(C)NC1(c2nc(C(F)(F)F)no2)CC1.
What is the InChIKey of N-tert-butyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
The InChIKey is HXELNWGLETYGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-8(2,3)16-9(4-5-9)7-14-6(15-17-7)10(11,12)13/h16H,4-5H2,1-3H3.
What are the key properties of N-tert-butyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
N-tert-butyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine has a molecular weight of 249.24 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine is sourced from PubChem (CID 59777429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).