1-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine

C18H16ClF3N2O — CID 46137694

IUPAC1-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFC(F)(F)c1ccc(CNCC2CC(c3ccccc3Cl)=NO2)cc1
InChIInChI=1S/C18H16ClF3N2O/c19-16-4-2-1-3-15(16)17-9-14(25-24-17)11-23-10-12-5-7-13(8-6-12)18(20,21)22/h1-8,14,23H,9-11H2
InChIKeyOGSCCIFSIJMVJM-UHFFFAOYSA-N
MW368.79 g/mol
LogP4.64
Rot. Bonds5

About 1-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine

1-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine (PubChem CID 46137694) has the molecular formula C18H16ClF3N2O and a molecular weight of 368.79 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
PubChem CID46137694
Molecular FormulaC18H16ClF3N2O
Molecular Weight368.79 g/mol
Exact Mass368.09
IUPAC Name1-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFC(F)(F)c1ccc(CNCC2CC(c3ccccc3Cl)=NO2)cc1
InChIInChI=1S/C18H16ClF3N2O/c19-16-4-2-1-3-15(16)17-9-14(25-24-17)11-23-10-12-5-7-13(8-6-12)18(20,21)22/h1-8,14,23H,9-11H2
InChIKeyOGSCCIFSIJMVJM-UHFFFAOYSA-N
XLogP4.64
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.79
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine (CID 46137694) is 1-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine is FC(F)(F)c1ccc(CNCC2CC(c3ccccc3Cl)=NO2)cc1.
What is the InChIKey of 1-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
The InChIKey is OGSCCIFSIJMVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O/c19-16-4-2-1-3-15(16)17-9-14(25-24-17)11-23-10-12-5-7-13(8-6-12)18(20,21)22/h1-8,14,23H,9-11H2.
What are the key properties of 1-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
1-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine has a molecular weight of 368.79 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 46137694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).