5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole

C18H19NO — CID 24881751

IUPAC5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
SMILESc1ccc(CCC2=NOC(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H19NO/c1-3-7-15(8-4-1)11-12-17-14-18(20-19-17)13-16-9-5-2-6-10-16/h1-10,18H,11-14H2
InChIKeyDOUMEAYBUUAECN-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.01
Rot. Bonds5

About 5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole

5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 24881751) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
PubChem CID24881751
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
SMILESc1ccc(CCC2=NOC(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H19NO/c1-3-7-15(8-4-1)11-12-17-14-18(20-19-17)13-16-9-5-2-6-10-16/h1-10,18H,11-14H2
InChIKeyDOUMEAYBUUAECN-UHFFFAOYSA-N
XLogP4.01
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.01
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-phenylethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole (CID 24881751) is 5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole is c1ccc(CCC2=NOC(Cc3ccccc3)C2)cc1.
What is the InChIKey of 5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is DOUMEAYBUUAECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-7-15(8-4-1)11-12-17-14-18(20-19-17)13-16-9-5-2-6-10-16/h1-10,18H,11-14H2.
What are the key properties of 5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 265.36 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 24881751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).