4-phenyl-2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,3-oxazole

C18H12F3NO — CID 135030030

IUPAC4-phenyl-2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1oc(/C=C/c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H12F3NO/c19-18(20,21)17-16(14-9-5-2-6-10-14)22-15(23-17)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
InChIKeyYLLGLKRWMOOMBF-VAWYXSNFSA-N
MW315.29 g/mol
LogP5.53
Rot. Bonds3

About 4-phenyl-2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,3-oxazole

4-phenyl-2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,3-oxazole (PubChem CID 135030030) has the molecular formula C18H12F3NO and a molecular weight of 315.29 g/mol. Its IUPAC name is 4-phenyl-2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-phenyl-2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,3-oxazole
PubChem CID135030030
Molecular FormulaC18H12F3NO
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC Name4-phenyl-2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1oc(/C=C/c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H12F3NO/c19-18(20,21)17-16(14-9-5-2-6-10-14)22-15(23-17)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
InChIKeyYLLGLKRWMOOMBF-VAWYXSNFSA-N
XLogP5.53
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.29
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 4-phenyl-2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,3-oxazole (CID 135030030) is 4-phenyl-2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-phenyl-2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-phenyl-2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,3-oxazole is FC(F)(F)c1oc(/C=C/c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 4-phenyl-2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,3-oxazole?
The InChIKey is YLLGLKRWMOOMBF-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H12F3NO/c19-18(20,21)17-16(14-9-5-2-6-10-14)22-15(23-17)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+.
What are the key properties of 4-phenyl-2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,3-oxazole?
4-phenyl-2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,3-oxazole has a molecular weight of 315.29 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 135030030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).