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

C17H17NO — CID 15445645

IUPAC3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
SMILESc1ccc(CCC2CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C17H17NO/c1-3-7-14(8-4-1)11-12-16-13-17(18-19-16)15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKeyTZDOYGNKUHNWJP-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.81
Rot. Bonds4

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

3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 15445645) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
PubChem CID15445645
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
SMILESc1ccc(CCC2CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C17H17NO/c1-3-7-14(8-4-1)11-12-16-13-17(18-19-16)15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKeyTZDOYGNKUHNWJP-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole (CID 15445645) is 3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole is c1ccc(CCC2CC(c3ccccc3)=NO2)cc1.
What is the InChIKey of 3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is TZDOYGNKUHNWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-3-7-14(8-4-1)11-12-16-13-17(18-19-16)15-9-5-2-6-10-15/h1-10,16H,11-13H2.
What are the key properties of 3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 251.33 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 15445645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).