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

C17H15F3N2O — CID 143726679

IUPACN-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazol-5-amine
SMILESCNC1=C(c2ccccc2)NC(c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C17H15F3N2O/c1-21-16-14(11-5-3-2-4-6-11)22-15(23-16)12-7-9-13(10-8-12)17(18,19)20/h2-10,15,21-22H,1H3
InChIKeyGOFNIDPEPARBCJ-UHFFFAOYSA-N
MW320.31 g/mol
LogP3.87
Rot. Bonds3

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

N-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazol-5-amine (PubChem CID 143726679) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is N-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazol-5-amine
PubChem CID143726679
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC NameN-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazol-5-amine
SMILESCNC1=C(c2ccccc2)NC(c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C17H15F3N2O/c1-21-16-14(11-5-3-2-4-6-11)22-15(23-16)12-7-9-13(10-8-12)17(18,19)20/h2-10,15,21-22H,1H3
InChIKeyGOFNIDPEPARBCJ-UHFFFAOYSA-N
XLogP3.87
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazol-5-amine?
The IUPAC name of N-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazol-5-amine (CID 143726679) is N-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazol-5-amine.
What is the SMILES notation for N-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazol-5-amine?
The canonical SMILES for N-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazol-5-amine is CNC1=C(c2ccccc2)NC(c2ccc(C(F)(F)F)cc2)O1.
What is the InChIKey of N-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazol-5-amine?
The InChIKey is GOFNIDPEPARBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O/c1-21-16-14(11-5-3-2-4-6-11)22-15(23-16)12-7-9-13(10-8-12)17(18,19)20/h2-10,15,21-22H,1H3.
What are the key properties of N-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazol-5-amine?
N-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazol-5-amine has a molecular weight of 320.31 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazol-5-amine is sourced from PubChem (CID 143726679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).