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

C16H12F3NO — CID 71680803

IUPAC3-phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
SMILESFC(F)(F)c1ccc(C2CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-8-6-12(7-9-13)15-10-14(20-21-15)11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKeyOJLRQSHJQOROFR-UHFFFAOYSA-N
MW291.27 g/mol
LogP4.57
Rot. Bonds2

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

3-phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole (PubChem CID 71680803) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is 3-phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
PubChem CID71680803
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name3-phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
SMILESFC(F)(F)c1ccc(C2CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-8-6-12(7-9-13)15-10-14(20-21-15)11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKeyOJLRQSHJQOROFR-UHFFFAOYSA-N
XLogP4.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561968
(5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561970
(5R)-5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561972
4-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]benzonitrile
CID 71562092
4-[[(E)-1-phenylethylideneamino]oxymethyl]benzonitrile
CID 6300825
Isoxazole, 4,5-dihydro-3,5-diphenyl-
CID 98238
(5R)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561450
(5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561453
(5S)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561971
(5S)-5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562089
4-[(5S)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]benzonitrile
CID 71562093
4,5-Dihydro-5-methyl-3,5-diphenylisoxazole
CID 368754

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole (CID 71680803) is 3-phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole is FC(F)(F)c1ccc(C2CC(c3ccccc3)=NO2)cc1.
What is the InChIKey of 3-phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is OJLRQSHJQOROFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO/c17-16(18,19)13-8-6-12(7-9-13)15-10-14(20-21-15)11-4-2-1-3-5-11/h1-9,15H,10H2.
What are the key properties of 3-phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole?
3-phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 291.27 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 71680803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).