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

C16H14FNO — CID 59544919

IUPAC5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILESFc1ccccc1C1=NOC(Cc2ccccc2)C1
InChIInChI=1S/C16H14FNO/c17-15-9-5-4-8-14(15)16-11-13(19-18-16)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2
InChIKeySINKLGMBHNVUNA-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.56
Rot. Bonds3

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

5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 59544919) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
PubChem CID59544919
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILESFc1ccccc1C1=NOC(Cc2ccccc2)C1
InChIInChI=1S/C16H14FNO/c17-15-9-5-4-8-14(15)16-11-13(19-18-16)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2
InChIKeySINKLGMBHNVUNA-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole (CID 59544919) is 5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole is Fc1ccccc1C1=NOC(Cc2ccccc2)C1.
What is the InChIKey of 5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is SINKLGMBHNVUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c17-15-9-5-4-8-14(15)16-11-13(19-18-16)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2.
What are the key properties of 5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole?
5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 255.29 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 59544919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).