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

C18H19NO2 — CID 71561837

IUPAC(5R)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2=NO[C@H](CCc3ccccc3)C2)cc1
InChIInChI=1S/C18H19NO2/c1-20-16-11-8-15(9-12-16)18-13-17(21-19-18)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-12,17H,7,10,13H2,1H3/t17-/m1/s1
InChIKeyHXWGKLYJZNNZHO-QGZVFWFLSA-N
MW281.36 g/mol
LogP3.82
Rot. Bonds5

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

(5R)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 71561837) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (5R)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
PubChem CID71561837
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(5R)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2=NO[C@H](CCc3ccccc3)C2)cc1
InChIInChI=1S/C18H19NO2/c1-20-16-11-8-15(9-12-16)18-13-17(21-19-18)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-12,17H,7,10,13H2,1H3/t17-/m1/s1
InChIKeyHXWGKLYJZNNZHO-QGZVFWFLSA-N
XLogP3.82
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R)-3-(4-methoxyphenyl)-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

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole (CID 71561837) is (5R)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole is COc1ccc(C2=NO[C@H](CCc3ccccc3)C2)cc1.
What is the InChIKey of (5R)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is HXWGKLYJZNNZHO-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19NO2/c1-20-16-11-8-15(9-12-16)18-13-17(21-19-18)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-12,17H,7,10,13H2,1H3/t17-/m1/s1.
What are the key properties of (5R)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
(5R)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 281.36 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 71561837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).