[3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methanamine

C11H10F3N3O — CID 10539054

IUPAC[3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(Cc2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)8-3-1-7(2-4-8)5-9-16-10(6-15)18-17-9/h1-4H,5-6,15H2
InChIKeyUILOQZYZOMHDTF-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.14
Rot. Bonds3

About [3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methanamine

[3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 10539054) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is [3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID10539054
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name[3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(Cc2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)8-3-1-7(2-4-8)5-9-16-10(6-15)18-17-9/h1-4H,5-6,15H2
InChIKeyUILOQZYZOMHDTF-UHFFFAOYSA-N
XLogP2.14
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 10539054) is [3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(Cc2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of [3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is UILOQZYZOMHDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)8-3-1-7(2-4-8)5-9-16-10(6-15)18-17-9/h1-4H,5-6,15H2.
What are the key properties of [3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 257.22 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 10539054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).