N-(1,2-oxazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine

C12H11F3N2O — CID 106414866

IUPACN-(1,2-oxazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccccc1CNCc1ccno1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)11-4-2-1-3-9(11)7-16-8-10-5-6-17-18-10/h1-6,16H,7-8H2
InChIKeyFGNMROFQOCSRSM-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.98
Rot. Bonds4

About N-(1,2-oxazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine

N-(1,2-oxazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 106414866) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID106414866
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccccc1CNCc1ccno1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)11-4-2-1-3-9(11)7-16-8-10-5-6-17-18-10/h1-6,16H,7-8H2
InChIKeyFGNMROFQOCSRSM-UHFFFAOYSA-N
XLogP2.98
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine (CID 106414866) is N-(1,2-oxazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine is FC(F)(F)c1ccccc1CNCc1ccno1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is FGNMROFQOCSRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c13-12(14,15)11-4-2-1-3-9(11)7-16-8-10-5-6-17-18-10/h1-6,16H,7-8H2.
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
N-(1,2-oxazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 256.23 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 106414866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).