3-benzyl-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole

C18H19NO — CID 91605279

IUPAC3-benzyl-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
SMILESC1=C(Cc2ccccc2)NOC1CCc1ccccc1
InChIInChI=1S/C18H19NO/c1-3-7-15(8-4-1)11-12-18-14-17(19-20-18)13-16-9-5-2-6-10-16/h1-10,14,18-19H,11-13H2
InChIKeyMGUCSMYILVSSPC-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.65
Rot. Bonds5

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

3-benzyl-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole (PubChem CID 91605279) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-benzyl-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-benzyl-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
PubChem CID91605279
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-benzyl-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
SMILESC1=C(Cc2ccccc2)NOC1CCc1ccccc1
InChIInChI=1S/C18H19NO/c1-3-7-15(8-4-1)11-12-18-14-17(19-20-18)13-16-9-5-2-6-10-16/h1-10,14,18-19H,11-13H2
InChIKeyMGUCSMYILVSSPC-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4,4-Bis(4-fluorophenyl)butyl]-2,5-dihydro-1,2-oxazole
CID 57118295
3-(4-Fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 90865219
5-Benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 90911263
5-[2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-Hexadecafluoro-8-(trifluoromethyl)nonyl]-3-phenyl-2,5-dihydro-1,2-oxazole
CID 90941741
5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)-3-phenyl-2,5-dihydro-1,2-oxazole
CID 91040505
5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Henicosafluoroundecyl)-3-phenyl-2,5-dihydro-1,2-oxazole
CID 91064460
3-(3-Fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 91104820
5-Benzyl-3-(2-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 91159919
5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl)-3-phenyl-2,5-dihydro-1,2-oxazole
CID 91214153
5-[(4-Fluorophenyl)methyl]-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 91243107
3-(4-Fluorophenyl)-5-phenyl-2,5-dihydro-1,2-oxazole
CID 91347486
5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Pentacosafluorotridecyl)-3-phenyl-2,5-dihydro-1,2-oxazole
CID 91373559

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-benzyl-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole (CID 91605279) is 3-benzyl-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-benzyl-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-benzyl-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole is C1=C(Cc2ccccc2)NOC1CCc1ccccc1.
What is the InChIKey of 3-benzyl-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is MGUCSMYILVSSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-7-15(8-4-1)11-12-18-14-17(19-20-18)13-16-9-5-2-6-10-16/h1-10,14,18-19H,11-13H2.
What are the key properties of 3-benzyl-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
3-benzyl-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 265.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91605279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).