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

C15H11F3N2O — CID 13282946

IUPAC2-[5-methyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]acetonitrile
SMILESCc1oc(/C=C/c2cccc(C(F)(F)F)c2)nc1CC#N
InChIInChI=1S/C15H11F3N2O/c1-10-13(7-8-19)20-14(21-10)6-5-11-3-2-4-12(9-11)15(16,17)18/h2-6,9H,7H2,1H3/b6-5+
InChIKeyBWNUHYOMEUZWSJ-AATRIKPKSA-N
MW292.26 g/mol
LogP4.24
Rot. Bonds3

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

2-[5-methyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]acetonitrile (PubChem CID 13282946) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-[5-methyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-methyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]acetonitrile
PubChem CID13282946
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name2-[5-methyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]acetonitrile
SMILESCc1oc(/C=C/c2cccc(C(F)(F)F)c2)nc1CC#N
InChIInChI=1S/C15H11F3N2O/c1-10-13(7-8-19)20-14(21-10)6-5-11-3-2-4-12(9-11)15(16,17)18/h2-6,9H,7H2,1H3/b6-5+
InChIKeyBWNUHYOMEUZWSJ-AATRIKPKSA-N
XLogP4.24
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]acetonitrile?
The IUPAC name of 2-[5-methyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]acetonitrile (CID 13282946) is 2-[5-methyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]acetonitrile.
What is the SMILES notation for 2-[5-methyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]acetonitrile?
The canonical SMILES for 2-[5-methyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]acetonitrile is Cc1oc(/C=C/c2cccc(C(F)(F)F)c2)nc1CC#N.
What is the InChIKey of 2-[5-methyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]acetonitrile?
The InChIKey is BWNUHYOMEUZWSJ-AATRIKPKSA-N. The full InChI is InChI=1S/C15H11F3N2O/c1-10-13(7-8-19)20-14(21-10)6-5-11-3-2-4-12(9-11)15(16,17)18/h2-6,9H,7H2,1H3/b6-5+.
What are the key properties of 2-[5-methyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]acetonitrile?
2-[5-methyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]acetonitrile has a molecular weight of 292.26 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]acetonitrile is sourced from PubChem (CID 13282946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).