3-benzyl-5-phenyl-1,2-oxazole

C16H13NO — CID 849566

IUPAC3-benzyl-5-phenyl-1,2-oxazole
SMILESc1ccc(Cc2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C16H13NO/c1-3-7-13(8-4-1)11-15-12-16(18-17-15)14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKeyLFUKOGGFENMSNV-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.93
Rot. Bonds3

About 3-benzyl-5-phenyl-1,2-oxazole

3-benzyl-5-phenyl-1,2-oxazole (PubChem CID 849566) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-benzyl-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-benzyl-5-phenyl-1,2-oxazole
PubChem CID849566
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name3-benzyl-5-phenyl-1,2-oxazole
SMILESc1ccc(Cc2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C16H13NO/c1-3-7-13(8-4-1)11-15-12-16(18-17-15)14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKeyLFUKOGGFENMSNV-UHFFFAOYSA-N
XLogP3.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-phenyl-1,2-oxazole?
The IUPAC name of 3-benzyl-5-phenyl-1,2-oxazole (CID 849566) is 3-benzyl-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-benzyl-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-benzyl-5-phenyl-1,2-oxazole is c1ccc(Cc2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of 3-benzyl-5-phenyl-1,2-oxazole?
The InChIKey is LFUKOGGFENMSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-3-7-13(8-4-1)11-15-12-16(18-17-15)14-9-5-2-6-10-14/h1-10,12H,11H2.
What are the key properties of 3-benzyl-5-phenyl-1,2-oxazole?
3-benzyl-5-phenyl-1,2-oxazole has a molecular weight of 235.29 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-phenyl-1,2-oxazole is sourced from PubChem (CID 849566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).