(7E)-7-benzylidene-3-(trifluoromethyl)-5,6-dihydro-4H-2,1-benzoxazole

C15H12F3NO — CID 12965268

IUPAC(7E)-7-benzylidene-3-(trifluoromethyl)-5,6-dihydro-4H-2,1-benzoxazole
SMILESFC(F)(F)c1onc2c1CCC/C2=C\c1ccccc1
InChIInChI=1S/C15H12F3NO/c16-15(17,18)14-12-8-4-7-11(13(12)19-20-14)9-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2/b11-9+
InChIKeyXOIDKJCPROVEIN-PKNBQFBNSA-N
MW279.26 g/mol
LogP4.57
Rot. Bonds1

About (7E)-7-benzylidene-3-(trifluoromethyl)-5,6-dihydro-4H-2,1-benzoxazole

(7E)-7-benzylidene-3-(trifluoromethyl)-5,6-dihydro-4H-2,1-benzoxazole (PubChem CID 12965268) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is (7E)-7-benzylidene-3-(trifluoromethyl)-5,6-dihydro-4H-2,1-benzoxazole.

Molecular Properties

Compound Name(7E)-7-benzylidene-3-(trifluoromethyl)-5,6-dihydro-4H-2,1-benzoxazole
PubChem CID12965268
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name(7E)-7-benzylidene-3-(trifluoromethyl)-5,6-dihydro-4H-2,1-benzoxazole
SMILESFC(F)(F)c1onc2c1CCC/C2=C\c1ccccc1
InChIInChI=1S/C15H12F3NO/c16-15(17,18)14-12-8-4-7-11(13(12)19-20-14)9-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2/b11-9+
InChIKeyXOIDKJCPROVEIN-PKNBQFBNSA-N
XLogP4.57
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Diphenylisoxazole
CID 137292
3,5-Dimethyl-4-phenylisoxazole
CID 5325760
3-Methyl-5-phenylisoxazole
CID 136804
5-Methyl-3,4-diphenyl-isoxazole
CID 9991673
5-Methyl-3-phenyl-1,2-oxazole
CID 136803
3,4-Diphenyl-5-ethylisoxazole
CID 10377376
5-Tert-butyl-3-phenyl-1,2-oxazole
CID 2853311
3-Benzyl-5-phenylisoxazole
CID 849566
3-[(4-Fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydro-2,1-benzoxazol-4-one
CID 122462928
(5-Methyl-3-phenylisoxazol-4-yl)(phenyl)methanone
CID 318529
3-Phenyl-2,1-benzisoxazole
CID 3460833
(NZ)-N-(3-ethyl-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine
CID 5895218

Frequently Asked Questions

What is the IUPAC name of (7E)-7-benzylidene-3-(trifluoromethyl)-5,6-dihydro-4H-2,1-benzoxazole?
The IUPAC name of (7E)-7-benzylidene-3-(trifluoromethyl)-5,6-dihydro-4H-2,1-benzoxazole (CID 12965268) is (7E)-7-benzylidene-3-(trifluoromethyl)-5,6-dihydro-4H-2,1-benzoxazole.
What is the SMILES notation for (7E)-7-benzylidene-3-(trifluoromethyl)-5,6-dihydro-4H-2,1-benzoxazole?
The canonical SMILES for (7E)-7-benzylidene-3-(trifluoromethyl)-5,6-dihydro-4H-2,1-benzoxazole is FC(F)(F)c1onc2c1CCC/C2=C\c1ccccc1.
What is the InChIKey of (7E)-7-benzylidene-3-(trifluoromethyl)-5,6-dihydro-4H-2,1-benzoxazole?
The InChIKey is XOIDKJCPROVEIN-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H12F3NO/c16-15(17,18)14-12-8-4-7-11(13(12)19-20-14)9-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2/b11-9+.
What are the key properties of (7E)-7-benzylidene-3-(trifluoromethyl)-5,6-dihydro-4H-2,1-benzoxazole?
(7E)-7-benzylidene-3-(trifluoromethyl)-5,6-dihydro-4H-2,1-benzoxazole has a molecular weight of 279.26 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-benzylidene-3-(trifluoromethyl)-5,6-dihydro-4H-2,1-benzoxazole is sourced from PubChem (CID 12965268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).