5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine

C17H13F3N2O — CID 45484940

IUPAC5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine
SMILESFC(F)(F)c1ccc(CNc2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)14-8-6-12(7-9-14)11-21-16-10-15(23-22-16)13-4-2-1-3-5-13/h1-10H,11H2,(H,21,22)
InChIKeyLTIRKVNXSIMJQL-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.97
Rot. Bonds4

About 5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine

5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine (PubChem CID 45484940) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine
PubChem CID45484940
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine
SMILESFC(F)(F)c1ccc(CNc2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)14-8-6-12(7-9-14)11-21-16-10-15(23-22-16)13-4-2-1-3-5-13/h1-10H,11H2,(H,21,22)
InChIKeyLTIRKVNXSIMJQL-UHFFFAOYSA-N
XLogP4.97
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 46173648
4-(3-fluorophenyl)-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine
CID 163368869
N-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720987
2-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 111267725
N-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 50992468
2-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide
CID 154291859
1-(1-hydroxy-2-methylpropan-2-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812798
3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole
CID 139215073
2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine
CID 112723924
6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine
CID 60726264
6-chloro-5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine
CID 10363703
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine (CID 45484940) is 5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine is FC(F)(F)c1ccc(CNc2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of 5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine?
The InChIKey is LTIRKVNXSIMJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c18-17(19,20)14-8-6-12(7-9-14)11-21-16-10-15(23-22-16)13-4-2-1-3-5-13/h1-10H,11H2,(H,21,22).
What are the key properties of 5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine?
5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine has a molecular weight of 318.30 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 45484940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).