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

C11H10F3N3O — CID 43559319

IUPAC(5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESCc1nc(C(N)c2ccccc2C(F)(F)F)no1
InChIInChI=1S/C11H10F3N3O/c1-6-16-10(17-18-6)9(15)7-4-2-3-5-8(7)11(12,13)14/h2-5,9H,15H2,1H3
InChIKeyHLLAUTRPNZWRBF-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.44
Rot. Bonds2

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

(5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 43559319) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is (5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID43559319
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name(5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESCc1nc(C(N)c2ccccc2C(F)(F)F)no1
InChIInChI=1S/C11H10F3N3O/c1-6-16-10(17-18-6)9(15)7-4-2-3-5-8(7)11(12,13)14/h2-5,9H,15H2,1H3
InChIKeyHLLAUTRPNZWRBF-UHFFFAOYSA-N
XLogP2.44
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethyl)phenyl]methanamine (CID 43559319) is (5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethyl)phenyl]methanamine is Cc1nc(C(N)c2ccccc2C(F)(F)F)no1.
What is the InChIKey of (5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is HLLAUTRPNZWRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-6-16-10(17-18-6)9(15)7-4-2-3-5-8(7)11(12,13)14/h2-5,9H,15H2,1H3.
What are the key properties of (5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethyl)phenyl]methanamine?
(5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 257.22 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43559319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).