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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Related Compounds

5-Methyl-3-phenyl-4-isoxazolamine
CID 2747584
3-Methyl-4-nitro-5-(4-methylstyryl)isoxazole
CID 1779986
3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,2-oxazole
CID 5290537
5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3-methyl-4-nitro-1,2-oxazole
CID 5703061
3-Methyl-4-nitro-5-styrylisoxazole
CID 6240688
(3-Methyl-5-styryl-isoxazol-4-YL)-(3-phenyl-allylidene)-amine
CID 5795686
3-Methyl-5-phenyl-1,2-oxazol-4-amine hydrochloride
CID 75480718
3-Methyl-4-nitro-5-(2-phenyl-3,3,3-trifluoro-1-propenyl)isoxazole
CID 132526893
3-methyl-5-[(1S,2S)-2-(4-methylphenyl)-2-(trifluoromethyl)cyclopropyl]-4-nitro-1,2-oxazole
CID 162403057
5-Methyl-4-nitro-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole
CID 164672586
4-[(E)-1,1-difluoro-4-phenylbut-3-enyl]-3,5-dimethyl-1,2-oxazole
CID 177850224
Isoxazole, 3-methyl-4-nitro-5-(2-phenylethenyl)-
CID 2981881

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).