(3-propan-2-ylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine

C10H12F3N5O — CID 66163638

IUPAC(3-propan-2-ylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCC(C)n1cncc1C(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N5O/c1-5(2)18-4-15-3-6(18)7(14)8-16-9(19-17-8)10(11,12)13/h3-5,7H,14H2,1-2H3
InChIKeyZGYKNDVVTBBTHA-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.91
Rot. Bonds3

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

(3-propan-2-ylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 66163638) has the molecular formula C10H12F3N5O and a molecular weight of 275.23 g/mol. Its IUPAC name is (3-propan-2-ylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name(3-propan-2-ylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID66163638
Molecular FormulaC10H12F3N5O
Molecular Weight275.23 g/mol
Exact Mass275.10
IUPAC Name(3-propan-2-ylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCC(C)n1cncc1C(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N5O/c1-5(2)18-4-15-3-6(18)7(14)8-16-9(19-17-8)10(11,12)13/h3-5,7H,14H2,1-2H3
InChIKeyZGYKNDVVTBBTHA-UHFFFAOYSA-N
XLogP1.91
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of (3-propan-2-ylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 66163638) is (3-propan-2-ylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for (3-propan-2-ylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for (3-propan-2-ylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is CC(C)n1cncc1C(N)c1noc(C(F)(F)F)n1.
What is the InChIKey of (3-propan-2-ylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is ZGYKNDVVTBBTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O/c1-5(2)18-4-15-3-6(18)7(14)8-16-9(19-17-8)10(11,12)13/h3-5,7H,14H2,1-2H3.
What are the key properties of (3-propan-2-ylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
(3-propan-2-ylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 275.23 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylimidazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 66163638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).