2-[(5E)-5-[(2Z)-2-(1-cyanoethylidene)-4-(4-methylphenyl)-1,3-oxazol-5-ylidene]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-ylidene]propanedinitrile

C26H14F3N5O2 — CID 163567188

IUPAC2-[(5E)-5-[(2Z)-2-(1-cyanoethylidene)-4-(4-methylphenyl)-1,3-oxazol-5-ylidene]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-ylidene]propanedinitrile
SMILESC/C(C#N)=c1\nc(-c2ccc(C)cc2)/c(=c2\oc(=C(C#N)C#N)nc2-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C26H14F3N5O2/c1-14-3-5-16(6-4-14)20-22(35-24(33-20)15(2)11-30)23-21(34-25(36-23)18(12-31)13-32)17-7-9-19(10-8-17)26(27,28)29/h3-10H,1-2H3/b23-22+,24-15-
InChIKeyUQAFPGLMKGRCST-HMUFYQLISA-N
MW485.43 g/mol
LogP4.50
Rot. Bonds2

About 2-[(5E)-5-[(2Z)-2-(1-cyanoethylidene)-4-(4-methylphenyl)-1,3-oxazol-5-ylidene]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-ylidene]propanedinitrile

2-[(5E)-5-[(2Z)-2-(1-cyanoethylidene)-4-(4-methylphenyl)-1,3-oxazol-5-ylidene]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-ylidene]propanedinitrile (PubChem CID 163567188) has the molecular formula C26H14F3N5O2 and a molecular weight of 485.43 g/mol. Its IUPAC name is 2-[(5E)-5-[(2Z)-2-(1-cyanoethylidene)-4-(4-methylphenyl)-1,3-oxazol-5-ylidene]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(5E)-5-[(2Z)-2-(1-cyanoethylidene)-4-(4-methylphenyl)-1,3-oxazol-5-ylidene]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-ylidene]propanedinitrile
PubChem CID163567188
Molecular FormulaC26H14F3N5O2
Molecular Weight485.43 g/mol
Exact Mass485.11
IUPAC Name2-[(5E)-5-[(2Z)-2-(1-cyanoethylidene)-4-(4-methylphenyl)-1,3-oxazol-5-ylidene]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-ylidene]propanedinitrile
SMILESC/C(C#N)=c1\nc(-c2ccc(C)cc2)/c(=c2\oc(=C(C#N)C#N)nc2-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C26H14F3N5O2/c1-14-3-5-16(6-4-14)20-22(35-24(33-20)15(2)11-30)23-21(34-25(36-23)18(12-31)13-32)17-7-9-19(10-8-17)26(27,28)29/h3-10H,1-2H3/b23-22+,24-15-
InChIKeyUQAFPGLMKGRCST-HMUFYQLISA-N
XLogP4.50
TPSA123.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.43
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(5E)-5-[(2Z)-2-(1-cyanoethylidene)-4-(4-methylphenyl)-1,3-oxazol-5-ylidene]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-ylidene]propanedinitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(5E)-5-[(2Z)-2-(1-cyanoethylidene)-4-(4-methylphenyl)-1,3-oxazol-5-ylidene]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-ylidene]propanedinitrile?
The IUPAC name of 2-[(5E)-5-[(2Z)-2-(1-cyanoethylidene)-4-(4-methylphenyl)-1,3-oxazol-5-ylidene]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-ylidene]propanedinitrile (CID 163567188) is 2-[(5E)-5-[(2Z)-2-(1-cyanoethylidene)-4-(4-methylphenyl)-1,3-oxazol-5-ylidene]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[(5E)-5-[(2Z)-2-(1-cyanoethylidene)-4-(4-methylphenyl)-1,3-oxazol-5-ylidene]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[(5E)-5-[(2Z)-2-(1-cyanoethylidene)-4-(4-methylphenyl)-1,3-oxazol-5-ylidene]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-ylidene]propanedinitrile is C/C(C#N)=c1\nc(-c2ccc(C)cc2)/c(=c2\oc(=C(C#N)C#N)nc2-c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 2-[(5E)-5-[(2Z)-2-(1-cyanoethylidene)-4-(4-methylphenyl)-1,3-oxazol-5-ylidene]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-ylidene]propanedinitrile?
The InChIKey is UQAFPGLMKGRCST-HMUFYQLISA-N. The full InChI is InChI=1S/C26H14F3N5O2/c1-14-3-5-16(6-4-14)20-22(35-24(33-20)15(2)11-30)23-21(34-25(36-23)18(12-31)13-32)17-7-9-19(10-8-17)26(27,28)29/h3-10H,1-2H3/b23-22+,24-15-.
What are the key properties of 2-[(5E)-5-[(2Z)-2-(1-cyanoethylidene)-4-(4-methylphenyl)-1,3-oxazol-5-ylidene]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-ylidene]propanedinitrile?
2-[(5E)-5-[(2Z)-2-(1-cyanoethylidene)-4-(4-methylphenyl)-1,3-oxazol-5-ylidene]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-ylidene]propanedinitrile has a molecular weight of 485.43 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E)-5-[(2Z)-2-(1-cyanoethylidene)-4-(4-methylphenyl)-1,3-oxazol-5-ylidene]-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-ylidene]propanedinitrile is sourced from PubChem (CID 163567188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).