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

C13H11F3N2O — CID 16771613

IUPAC5-methyl-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine
SMILESCc1onc(/C=C/c2ccc(C(F)(F)F)cc2)c1N
InChIInChI=1S/C13H11F3N2O/c1-8-12(17)11(18-19-8)7-4-9-2-5-10(6-3-9)13(14,15)16/h2-7H,17H2,1H3/b7-4+
InChIKeyHOWSZDXEPZLJRM-QPJJXVBHSA-N
MW268.24 g/mol
LogP3.75
Rot. Bonds2

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

5-methyl-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine (PubChem CID 16771613) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 5-methyl-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-methyl-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine
PubChem CID16771613
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name5-methyl-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine
SMILESCc1onc(/C=C/c2ccc(C(F)(F)F)cc2)c1N
InChIInChI=1S/C13H11F3N2O/c1-8-12(17)11(18-19-8)7-4-9-2-5-10(6-3-9)13(14,15)16/h2-7H,17H2,1H3/b7-4+
InChIKeyHOWSZDXEPZLJRM-QPJJXVBHSA-N
XLogP3.75
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine?
The IUPAC name of 5-methyl-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine (CID 16771613) is 5-methyl-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine.
What is the SMILES notation for 5-methyl-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine?
The canonical SMILES for 5-methyl-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine is Cc1onc(/C=C/c2ccc(C(F)(F)F)cc2)c1N.
What is the InChIKey of 5-methyl-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine?
The InChIKey is HOWSZDXEPZLJRM-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-8-12(17)11(18-19-8)7-4-9-2-5-10(6-3-9)13(14,15)16/h2-7H,17H2,1H3/b7-4+.
What are the key properties of 5-methyl-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine?
5-methyl-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine has a molecular weight of 268.24 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine is sourced from PubChem (CID 16771613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).