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

C11H9F3N2O — CID 15613907

IUPACN-methyl-4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-amine
SMILESCNc1onc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C11H9F3N2O/c1-15-10-8(7-5-3-2-4-6-7)9(16-17-10)11(12,13)14/h2-6,15H,1H3
InChIKeyVYKFPEOGSGOJJU-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.40
Rot. Bonds2

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

N-methyl-4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-amine (PubChem CID 15613907) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is N-methyl-4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-amine
PubChem CID15613907
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC NameN-methyl-4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-amine
SMILESCNc1onc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C11H9F3N2O/c1-15-10-8(7-5-3-2-4-6-7)9(16-17-10)11(12,13)14/h2-6,15H,1H3
InChIKeyVYKFPEOGSGOJJU-UHFFFAOYSA-N
XLogP3.40
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-amine?
The IUPAC name of N-methyl-4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-amine (CID 15613907) is N-methyl-4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-amine.
What is the SMILES notation for N-methyl-4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-amine?
The canonical SMILES for N-methyl-4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-amine is CNc1onc(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of N-methyl-4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-amine?
The InChIKey is VYKFPEOGSGOJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-15-10-8(7-5-3-2-4-6-7)9(16-17-10)11(12,13)14/h2-6,15H,1H3.
What are the key properties of N-methyl-4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-amine?
N-methyl-4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-amine has a molecular weight of 242.20 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 15613907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).