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

C10H14F3N3O — CID 58431011

IUPACN-propan-2-yl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
SMILESCC(C)NC1(c2nc(CC(F)(F)F)no2)CC1
InChIInChI=1S/C10H14F3N3O/c1-6(2)15-9(3-4-9)8-14-7(16-17-8)5-10(11,12)13/h6,15H,3-5H2,1-2H3
InChIKeyRNJWQQBHNUCMBI-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.16
Rot. Bonds4

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

N-propan-2-yl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine (PubChem CID 58431011) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-propan-2-yl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
PubChem CID58431011
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-propan-2-yl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
SMILESCC(C)NC1(c2nc(CC(F)(F)F)no2)CC1
InChIInChI=1S/C10H14F3N3O/c1-6(2)15-9(3-4-9)8-14-7(16-17-8)5-10(11,12)13/h6,15H,3-5H2,1-2H3
InChIKeyRNJWQQBHNUCMBI-UHFFFAOYSA-N
XLogP2.16
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.16
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-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
The IUPAC name of N-propan-2-yl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine (CID 58431011) is N-propan-2-yl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine.
What is the SMILES notation for N-propan-2-yl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
The canonical SMILES for N-propan-2-yl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine is CC(C)NC1(c2nc(CC(F)(F)F)no2)CC1.
What is the InChIKey of N-propan-2-yl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
The InChIKey is RNJWQQBHNUCMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-6(2)15-9(3-4-9)8-14-7(16-17-8)5-10(11,12)13/h6,15H,3-5H2,1-2H3.
What are the key properties of N-propan-2-yl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine?
N-propan-2-yl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine has a molecular weight of 249.24 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine is sourced from PubChem (CID 58431011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).