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

C18H19NO — CID 91569054

IUPAC5-benzyl-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
SMILESC1=C(CCc2ccccc2)NOC1Cc1ccccc1
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/h1-10,14,18-19H,11-13H2
InChIKeyPFCXRDUDQXRGTK-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.65
Rot. Bonds5

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

5-benzyl-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole (PubChem CID 91569054) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-benzyl-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
PubChem CID91569054
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name5-benzyl-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
SMILESC1=C(CCc2ccccc2)NOC1Cc1ccccc1
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/h1-10,14,18-19H,11-13H2
InChIKeyPFCXRDUDQXRGTK-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

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CID 14545021
(4R)-N-[(1S)-1-phenylbutoxy]non-8-en-4-amine
CID 10708581
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CID 15261431
N-benzhydryloxypropan-1-amine
CID 88804497
5-(4-Fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole
CID 57249872
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
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-[(4-Fluorophenyl)methyl]-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 91243107
5-benzyl-3-(2-fluorophenyl)-5-methyl-2H-1,2-oxazole
CID 91261845
3-(4-Fluorophenyl)-5-phenyl-2,5-dihydro-1,2-oxazole
CID 91347486

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-benzyl-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole (CID 91569054) is 5-benzyl-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-benzyl-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-benzyl-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole is C1=C(CCc2ccccc2)NOC1Cc1ccccc1.
What is the InChIKey of 5-benzyl-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is PFCXRDUDQXRGTK-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/h1-10,14,18-19H,11-13H2.
What are the key properties of 5-benzyl-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
5-benzyl-3-(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 5-benzyl-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91569054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).