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

C22H18FNO — CID 59544913

IUPAC5-benzyl-3-(2-fluorophenyl)-5-phenyl-4H-1,2-oxazole
SMILESFc1ccccc1C1=NOC(Cc2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C22H18FNO/c23-20-14-8-7-13-19(20)21-16-22(25-24-21,18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14H,15-16H2
InChIKeyLEBQFAGDQDJKQK-UHFFFAOYSA-N
MW331.39 g/mol
LogP5.09
Rot. Bonds4

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

5-benzyl-3-(2-fluorophenyl)-5-phenyl-4H-1,2-oxazole (PubChem CID 59544913) has the molecular formula C22H18FNO and a molecular weight of 331.39 g/mol. Its IUPAC name is 5-benzyl-3-(2-fluorophenyl)-5-phenyl-4H-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-3-(2-fluorophenyl)-5-phenyl-4H-1,2-oxazole
PubChem CID59544913
Molecular FormulaC22H18FNO
Molecular Weight331.39 g/mol
Exact Mass331.14
IUPAC Name5-benzyl-3-(2-fluorophenyl)-5-phenyl-4H-1,2-oxazole
SMILESFc1ccccc1C1=NOC(Cc2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C22H18FNO/c23-20-14-8-7-13-19(20)21-16-22(25-24-21,18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14H,15-16H2
InChIKeyLEBQFAGDQDJKQK-UHFFFAOYSA-N
XLogP5.09
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.39
LogP ≤ 55.09
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)-5-phenyl-4H-1,2-oxazole?
The IUPAC name of 5-benzyl-3-(2-fluorophenyl)-5-phenyl-4H-1,2-oxazole (CID 59544913) is 5-benzyl-3-(2-fluorophenyl)-5-phenyl-4H-1,2-oxazole.
What is the SMILES notation for 5-benzyl-3-(2-fluorophenyl)-5-phenyl-4H-1,2-oxazole?
The canonical SMILES for 5-benzyl-3-(2-fluorophenyl)-5-phenyl-4H-1,2-oxazole is Fc1ccccc1C1=NOC(Cc2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 5-benzyl-3-(2-fluorophenyl)-5-phenyl-4H-1,2-oxazole?
The InChIKey is LEBQFAGDQDJKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO/c23-20-14-8-7-13-19(20)21-16-22(25-24-21,18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14H,15-16H2.
What are the key properties of 5-benzyl-3-(2-fluorophenyl)-5-phenyl-4H-1,2-oxazole?
5-benzyl-3-(2-fluorophenyl)-5-phenyl-4H-1,2-oxazole has a molecular weight of 331.39 g/mol, XLogP of 5.09, 4 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)-5-phenyl-4H-1,2-oxazole is sourced from PubChem (CID 59544913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).