5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride

C16H16ClNO — CID 44585629

IUPAC5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride
SMILESCl.c1ccc(CC2CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C16H15NO.ClH/c1-3-7-13(8-4-1)11-15-12-16(17-18-15)14-9-5-2-6-10-14;/h1-10,15H,11-12H2;1H
InChIKeyGLUBZQZBECWVRC-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.84
Rot. Bonds3

About 5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride

5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride (PubChem CID 44585629) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride
PubChem CID44585629
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride
SMILESCl.c1ccc(CC2CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C16H15NO.ClH/c1-3-7-13(8-4-1)11-15-12-16(17-18-15)14-9-5-2-6-10-14;/h1-10,15H,11-12H2;1H
InChIKeyGLUBZQZBECWVRC-UHFFFAOYSA-N
XLogP3.84
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride?
The IUPAC name of 5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride (CID 44585629) is 5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride.
What is the SMILES notation for 5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride?
The canonical SMILES for 5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride is Cl.c1ccc(CC2CC(c3ccccc3)=NO2)cc1.
What is the InChIKey of 5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride?
The InChIKey is GLUBZQZBECWVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO.ClH/c1-3-7-13(8-4-1)11-15-12-16(17-18-15)14-9-5-2-6-10-14;/h1-10,15H,11-12H2;1H.
What are the key properties of 5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride?
5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride has a molecular weight of 273.76 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride is sourced from PubChem (CID 44585629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).