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

C13H11F3N2O — CID 57365042

IUPAC5-methyl-3-[2-[2-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine
SMILESCc1onc(C=Cc2ccccc2C(F)(F)F)c1N
InChIInChI=1S/C13H11F3N2O/c1-8-12(17)11(18-19-8)7-6-9-4-2-3-5-10(9)13(14,15)16/h2-7H,17H2,1H3
InChIKeyXOTQAOFCKHOUFB-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.75
Rot. Bonds2

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

5-methyl-3-[2-[2-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine (PubChem CID 57365042) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 5-methyl-3-[2-[2-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-methyl-3-[2-[2-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine
PubChem CID57365042
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name5-methyl-3-[2-[2-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine
SMILESCc1onc(C=Cc2ccccc2C(F)(F)F)c1N
InChIInChI=1S/C13H11F3N2O/c1-8-12(17)11(18-19-8)7-6-9-4-2-3-5-10(9)13(14,15)16/h2-7H,17H2,1H3
InChIKeyXOTQAOFCKHOUFB-UHFFFAOYSA-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-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine
CID 16771613
3-[(E)-2-(2,6-difluorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine
CID 16774269
1-[(Z)-prop-1-enyl]-2-(trifluoromethyl)benzene
CID 143260561
(E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 54775943
2,6-dimethyl-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]phenol
CID 14771913
2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole
CID 7966865
(E)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 19876981
1-methyl-1-[2-[(E)-2-(2-methylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]hydrazine
CID 144838535
5-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2-oxazol-4-amine
CID 16772896
(Z)-2-[2-(trifluoromethyl)phenyl]ethenesulfonyl chloride
CID 117265967
2-amino-3-(trifluoromethyl)benzaldehyde
CID 86701174
2-methyl-1-[(E)-prop-1-enyl]-3-(trifluoromethyl)benzene
CID 176961443

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-[2-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine?
The IUPAC name of 5-methyl-3-[2-[2-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine (CID 57365042) is 5-methyl-3-[2-[2-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine.
What is the SMILES notation for 5-methyl-3-[2-[2-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine?
The canonical SMILES for 5-methyl-3-[2-[2-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine is Cc1onc(C=Cc2ccccc2C(F)(F)F)c1N.
What is the InChIKey of 5-methyl-3-[2-[2-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine?
The InChIKey is XOTQAOFCKHOUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-8-12(17)11(18-19-8)7-6-9-4-2-3-5-10(9)13(14,15)16/h2-7H,17H2,1H3.
What are the key properties of 5-methyl-3-[2-[2-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine?
5-methyl-3-[2-[2-(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-[2-[2-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine is sourced from PubChem (CID 57365042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).