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

C18H19NO — CID 24881813

IUPAC3-benzyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
SMILESc1ccc(CCC2CC(Cc3ccccc3)=NO2)cc1
InChIInChI=1S/C18H19NO/c1-3-7-15(8-4-1)11-12-18-14-17(19-20-18)13-16-9-5-2-6-10-16/h1-10,18H,11-14H2
InChIKeyNASJEDRGLZZGAO-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.01
Rot. Bonds5

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

3-benzyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 24881813) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-benzyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-benzyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
PubChem CID24881813
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-benzyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
SMILESc1ccc(CCC2CC(Cc3ccccc3)=NO2)cc1
InChIInChI=1S/C18H19NO/c1-3-7-15(8-4-1)11-12-18-14-17(19-20-18)13-16-9-5-2-6-10-16/h1-10,18H,11-14H2
InChIKeyNASJEDRGLZZGAO-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561968
(5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561970
(5R)-5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561972
4-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]benzonitrile
CID 71562092
Isoxazole, 4,5-dihydro-3,5-diphenyl-
CID 98238
(5R)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561450
(5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561453
(5S)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561971
(5S)-5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562089
4-[(5S)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]benzonitrile
CID 71562093
3-(4-Chlorophenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 59544954
5-Benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 13682273

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-benzyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole (CID 24881813) is 3-benzyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-benzyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-benzyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole is c1ccc(CCC2CC(Cc3ccccc3)=NO2)cc1.
What is the InChIKey of 3-benzyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is NASJEDRGLZZGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-7-15(8-4-1)11-12-18-14-17(19-20-18)13-16-9-5-2-6-10-16/h1-10,18H,11-14H2.
What are the key properties of 3-benzyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
3-benzyl-5-(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 3-benzyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 24881813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).