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

C18H19NO — CID 13435837

IUPAC4-benzyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc(CCC2=NC(Cc3ccccc3)CO2)cc1
InChIInChI=1S/C18H19NO/c1-3-7-15(8-4-1)11-12-18-19-17(14-20-18)13-16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyYQABEUDZOQOVKK-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.66
Rot. Bonds5

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

4-benzyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 13435837) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-benzyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-benzyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
PubChem CID13435837
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name4-benzyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc(CCC2=NC(Cc3ccccc3)CO2)cc1
InChIInChI=1S/C18H19NO/c1-3-7-15(8-4-1)11-12-18-19-17(14-20-18)13-16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyYQABEUDZOQOVKK-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
(S,S)-4,4'-Dibenzyl-2,2'-bi(2-oxazoline)
CID 697622
AG-H-02521
CID 5325154
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
(+)-2,2'-Isopropylidenebis[(4R)-4-benzyl-2-oxazoline]
CID 10981320
(4S,4'S)-2,2'-(Pentane-3,3'-diyl)bis(4-benzyl-4,5-dihydrooxazole)
CID 10960121
(4S)-4-Benzyl-2-(heptafluoropropyl)-4,5-dihydro-1,3-oxazole
CID 72942282
2-Benzyl-4,5-dihydro-1,3-oxazole
CID 299603
2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 3957686
(4S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-4,5-dihydro-1,3-oxazole
CID 102142826
(4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 102142832

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-benzyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole (CID 13435837) is 4-benzyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-benzyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-benzyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole is c1ccc(CCC2=NC(Cc3ccccc3)CO2)cc1.
What is the InChIKey of 4-benzyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is YQABEUDZOQOVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-7-15(8-4-1)11-12-18-19-17(14-20-18)13-16-9-5-2-6-10-16/h1-10,17H,11-14H2.
What are the key properties of 4-benzyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole?
4-benzyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 265.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 13435837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).