N-methyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanamine

C12H11F3N2O — CID 65239756

IUPACN-methyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanamine
SMILESCNCc1cnoc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2O/c1-16-6-9-7-17-18-11(9)8-2-4-10(5-3-8)12(13,14)15/h2-5,7,16H,6H2,1H3
InChIKeyHUFNNQCKPPTULA-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.08
Rot. Bonds3

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

N-methyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanamine (PubChem CID 65239756) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is N-methyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanamine
PubChem CID65239756
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC NameN-methyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanamine
SMILESCNCc1cnoc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2O/c1-16-6-9-7-17-18-11(9)8-2-4-10(5-3-8)12(13,14)15/h2-5,7,16H,6H2,1H3
InChIKeyHUFNNQCKPPTULA-UHFFFAOYSA-N
XLogP3.08
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanamine (CID 65239756) is N-methyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanamine is CNCc1cnoc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanamine?
The InChIKey is HUFNNQCKPPTULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-16-6-9-7-17-18-11(9)8-2-4-10(5-3-8)12(13,14)15/h2-5,7,16H,6H2,1H3.
What are the key properties of N-methyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanamine?
N-methyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanamine has a molecular weight of 256.23 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 65239756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).