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

C17H17NO — CID 44585631

IUPAC5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
SMILESc1ccc(CCC2=NOC(c3ccccc3)C2)cc1
InChIInChI=1S/C17H17NO/c1-3-7-14(8-4-1)11-12-16-13-17(19-18-16)15-9-5-2-6-10-15/h1-10,17H,11-13H2
InChIKeyCAIRZSCGVFBYBW-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.14
Rot. Bonds4

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

5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 44585631) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
PubChem CID44585631
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
SMILESc1ccc(CCC2=NOC(c3ccccc3)C2)cc1
InChIInChI=1S/C17H17NO/c1-3-7-14(8-4-1)11-12-16-13-17(19-18-16)15-9-5-2-6-10-15/h1-10,17H,11-13H2
InChIKeyCAIRZSCGVFBYBW-UHFFFAOYSA-N
XLogP4.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole (CID 44585631) is 5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole is c1ccc(CCC2=NOC(c3ccccc3)C2)cc1.
What is the InChIKey of 5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is CAIRZSCGVFBYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-3-7-14(8-4-1)11-12-16-13-17(19-18-16)15-9-5-2-6-10-15/h1-10,17H,11-13H2.
What are the key properties of 5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 251.33 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 44585631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).