3-[(E)-2-(2,6-difluorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine

C12H10F2N2O — CID 16774269

IUPAC3-[(E)-2-(2,6-difluorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine
SMILESCc1onc(/C=C/c2c(F)cccc2F)c1N
InChIInChI=1S/C12H10F2N2O/c1-7-12(15)11(16-17-7)6-5-8-9(13)3-2-4-10(8)14/h2-6H,15H2,1H3/b6-5+
InChIKeyYSDKPBKFHZSAQL-AATRIKPKSA-N
MW236.22 g/mol
LogP3.01
Rot. Bonds2

About 3-[(E)-2-(2,6-difluorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine

3-[(E)-2-(2,6-difluorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine (PubChem CID 16774269) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is 3-[(E)-2-(2,6-difluorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine.

Molecular Properties

Compound Name3-[(E)-2-(2,6-difluorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine
PubChem CID16774269
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC Name3-[(E)-2-(2,6-difluorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine
SMILESCc1onc(/C=C/c2c(F)cccc2F)c1N
InChIInChI=1S/C12H10F2N2O/c1-7-12(15)11(16-17-7)6-5-8-9(13)3-2-4-10(8)14/h2-6H,15H2,1H3/b6-5+
InChIKeyYSDKPBKFHZSAQL-AATRIKPKSA-N
XLogP3.01
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-3-phenyl-4-isoxazolamine
CID 2747584
3-Methyl-5-styryl-isoxazole
CID 12292503
3-Methyl-4-nitro-5-(4-methylstyryl)isoxazole
CID 1779986
3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,2-oxazole
CID 5290537
4-Isocyanato-5-methyl-3-phenyl-1,2-oxazole
CID 2776145
5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3-methyl-4-nitro-1,2-oxazole
CID 5703061
5-((1E)-2-(4-Chlorophenyl)ethenyl)-3-methyl-4-nitroisoxazole
CID 833841
5-Methyl-4-nitro-3-phenyl-1,2-oxazole
CID 2255889
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

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(2,6-difluorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine?
The IUPAC name of 3-[(E)-2-(2,6-difluorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine (CID 16774269) is 3-[(E)-2-(2,6-difluorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine.
What is the SMILES notation for 3-[(E)-2-(2,6-difluorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine?
The canonical SMILES for 3-[(E)-2-(2,6-difluorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine is Cc1onc(/C=C/c2c(F)cccc2F)c1N.
What is the InChIKey of 3-[(E)-2-(2,6-difluorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine?
The InChIKey is YSDKPBKFHZSAQL-AATRIKPKSA-N. The full InChI is InChI=1S/C12H10F2N2O/c1-7-12(15)11(16-17-7)6-5-8-9(13)3-2-4-10(8)14/h2-6H,15H2,1H3/b6-5+.
What are the key properties of 3-[(E)-2-(2,6-difluorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine?
3-[(E)-2-(2,6-difluorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine has a molecular weight of 236.22 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(2,6-difluorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine is sourced from PubChem (CID 16774269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).