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

C16H14FNO — CID 22716523

IUPAC2-[(2-fluorophenyl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESFc1ccccc1CC1=NC(c2ccccc2)CO1
InChIInChI=1S/C16H14FNO/c17-14-9-5-4-8-13(14)10-16-18-15(11-19-16)12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChIKeyROIQAEZQZILDMI-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.54
Rot. Bonds3

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

2-[(2-fluorophenyl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 22716523) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID22716523
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name2-[(2-fluorophenyl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESFc1ccccc1CC1=NC(c2ccccc2)CO1
InChIInChI=1S/C16H14FNO/c17-14-9-5-4-8-13(14)10-16-18-15(11-19-16)12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChIKeyROIQAEZQZILDMI-UHFFFAOYSA-N
XLogP3.54
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole (CID 22716523) is 2-[(2-fluorophenyl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole is Fc1ccccc1CC1=NC(c2ccccc2)CO1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is ROIQAEZQZILDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c17-14-9-5-4-8-13(14)10-16-18-15(11-19-16)12-6-2-1-3-7-12/h1-9,15H,10-11H2.
What are the key properties of 2-[(2-fluorophenyl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
2-[(2-fluorophenyl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 255.29 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 22716523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).