(5R)-3-methyl-5-[2-(2-phenylethynyl)phenyl]-4,5-dihydro-1,2-oxazole

C18H15NO — CID 59570220

IUPAC(5R)-3-methyl-5-[2-(2-phenylethynyl)phenyl]-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@@H](c2ccccc2C#Cc2ccccc2)C1
InChIInChI=1S/C18H15NO/c1-14-13-18(20-19-14)17-10-6-5-9-16(17)12-11-15-7-3-2-4-8-15/h2-10,18H,13H2,1H3/t18-/m1/s1
InChIKeyMSIUIOLOJSCQNA-GOSISDBHSA-N
MW261.32 g/mol
LogP3.92
Rot. Bonds1

About (5R)-3-methyl-5-[2-(2-phenylethynyl)phenyl]-4,5-dihydro-1,2-oxazole

(5R)-3-methyl-5-[2-(2-phenylethynyl)phenyl]-4,5-dihydro-1,2-oxazole (PubChem CID 59570220) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is (5R)-3-methyl-5-[2-(2-phenylethynyl)phenyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-3-methyl-5-[2-(2-phenylethynyl)phenyl]-4,5-dihydro-1,2-oxazole
PubChem CID59570220
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name(5R)-3-methyl-5-[2-(2-phenylethynyl)phenyl]-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@@H](c2ccccc2C#Cc2ccccc2)C1
InChIInChI=1S/C18H15NO/c1-14-13-18(20-19-14)17-10-6-5-9-16(17)12-11-15-7-3-2-4-8-15/h2-10,18H,13H2,1H3/t18-/m1/s1
InChIKeyMSIUIOLOJSCQNA-GOSISDBHSA-N
XLogP3.92
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (5R)-3-methyl-5-[2-(2-phenylethynyl)phenyl]-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-methyl-5-[2-(2-phenylethynyl)phenyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-3-methyl-5-[2-(2-phenylethynyl)phenyl]-4,5-dihydro-1,2-oxazole (CID 59570220) is (5R)-3-methyl-5-[2-(2-phenylethynyl)phenyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-3-methyl-5-[2-(2-phenylethynyl)phenyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-3-methyl-5-[2-(2-phenylethynyl)phenyl]-4,5-dihydro-1,2-oxazole is CC1=NO[C@@H](c2ccccc2C#Cc2ccccc2)C1.
What is the InChIKey of (5R)-3-methyl-5-[2-(2-phenylethynyl)phenyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is MSIUIOLOJSCQNA-GOSISDBHSA-N. The full InChI is InChI=1S/C18H15NO/c1-14-13-18(20-19-14)17-10-6-5-9-16(17)12-11-15-7-3-2-4-8-15/h2-10,18H,13H2,1H3/t18-/m1/s1.
What are the key properties of (5R)-3-methyl-5-[2-(2-phenylethynyl)phenyl]-4,5-dihydro-1,2-oxazole?
(5R)-3-methyl-5-[2-(2-phenylethynyl)phenyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 261.32 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methyl-5-[2-(2-phenylethynyl)phenyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 59570220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).