5-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,3,4-oxadiazol-2-amine

C11H12F3N5O — CID 126787654

IUPAC5-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)Cn1ccnc1CNc1nnc(C2CC2)o1
InChIInChI=1S/C11H12F3N5O/c12-11(13,14)6-19-4-3-15-8(19)5-16-10-18-17-9(20-10)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,16,18)
InChIKeyRKCNUHLIQJBPIG-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.32
Rot. Bonds5

About 5-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,3,4-oxadiazol-2-amine

5-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 126787654) has the molecular formula C11H12F3N5O and a molecular weight of 287.24 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID126787654
Molecular FormulaC11H12F3N5O
Molecular Weight287.24 g/mol
Exact Mass287.10
IUPAC Name5-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)Cn1ccnc1CNc1nnc(C2CC2)o1
InChIInChI=1S/C11H12F3N5O/c12-11(13,14)6-19-4-3-15-8(19)5-16-10-18-17-9(20-10)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,16,18)
InChIKeyRKCNUHLIQJBPIG-UHFFFAOYSA-N
XLogP2.32
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,3,4-oxadiazol-2-amine (CID 126787654) is 5-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,3,4-oxadiazol-2-amine is FC(F)(F)Cn1ccnc1CNc1nnc(C2CC2)o1.
What is the InChIKey of 5-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is RKCNUHLIQJBPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c12-11(13,14)6-19-4-3-15-8(19)5-16-10-18-17-9(20-10)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,16,18).
What are the key properties of 5-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,3,4-oxadiazol-2-amine?
5-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 287.24 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 126787654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).