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

C16H15NO — CID 102312531

IUPAC2-benzyl-3-phenyl-3H-1,2-oxazole
SMILESC1=CC(c2ccccc2)N(Cc2ccccc2)O1
InChIInChI=1S/C16H15NO/c1-3-7-14(8-4-1)13-17-16(11-12-18-17)15-9-5-2-6-10-15/h1-12,16H,13H2
InChIKeyQVBRUPCDSUKVGC-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.69
Rot. Bonds3

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

2-benzyl-3-phenyl-3H-1,2-oxazole (PubChem CID 102312531) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-benzyl-3-phenyl-3H-1,2-oxazole.

Molecular Properties

Compound Name2-benzyl-3-phenyl-3H-1,2-oxazole
PubChem CID102312531
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2-benzyl-3-phenyl-3H-1,2-oxazole
SMILESC1=CC(c2ccccc2)N(Cc2ccccc2)O1
InChIInChI=1S/C16H15NO/c1-3-7-14(8-4-1)13-17-16(11-12-18-17)15-9-5-2-6-10-15/h1-12,16H,13H2
InChIKeyQVBRUPCDSUKVGC-UHFFFAOYSA-N
XLogP3.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-phenyl-3H-1,2-oxazole?
The IUPAC name of 2-benzyl-3-phenyl-3H-1,2-oxazole (CID 102312531) is 2-benzyl-3-phenyl-3H-1,2-oxazole.
What is the SMILES notation for 2-benzyl-3-phenyl-3H-1,2-oxazole?
The canonical SMILES for 2-benzyl-3-phenyl-3H-1,2-oxazole is C1=CC(c2ccccc2)N(Cc2ccccc2)O1.
What is the InChIKey of 2-benzyl-3-phenyl-3H-1,2-oxazole?
The InChIKey is QVBRUPCDSUKVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-3-7-14(8-4-1)13-17-16(11-12-18-17)15-9-5-2-6-10-15/h1-12,16H,13H2.
What are the key properties of 2-benzyl-3-phenyl-3H-1,2-oxazole?
2-benzyl-3-phenyl-3H-1,2-oxazole has a molecular weight of 237.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-phenyl-3H-1,2-oxazole is sourced from PubChem (CID 102312531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).