3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole

C15H12FNO — CID 102359870

IUPAC3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2=NOC(c3ccccc3)C2)cc1
InChIInChI=1S/C15H12FNO/c16-13-8-6-11(7-9-13)14-10-15(18-17-14)12-4-2-1-3-5-12/h1-9,15H,10H2
InChIKeyFYJYQSHSVAOKGA-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.69
Rot. Bonds2

About 3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole

3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 102359870) has the molecular formula C15H12FNO and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID102359870
Molecular FormulaC15H12FNO
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC Name3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2=NOC(c3ccccc3)C2)cc1
InChIInChI=1S/C15H12FNO/c16-13-8-6-11(7-9-13)14-10-15(18-17-14)12-4-2-1-3-5-12/h1-9,15H,10H2
InChIKeyFYJYQSHSVAOKGA-UHFFFAOYSA-N
XLogP3.69
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cupron
CID 5354084
(+-)-Benzoin oxime
CID 9924
(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
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
4,5-Dihydro-5-methyl-3,5-diphenylisoxazole
CID 368754
5-Benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 13682273

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole (CID 102359870) is 3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole is Fc1ccc(C2=NOC(c3ccccc3)C2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is FYJYQSHSVAOKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c16-13-8-6-11(7-9-13)14-10-15(18-17-14)12-4-2-1-3-5-12/h1-9,15H,10H2.
What are the key properties of 3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole?
3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 241.27 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 102359870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).