2-phenyl-4-(2-phenylmethoxyethyl)-5-propyl-1,3-oxazole

C21H23NO2 — CID 22261206

IUPAC2-phenyl-4-(2-phenylmethoxyethyl)-5-propyl-1,3-oxazole
SMILESCCCc1oc(-c2ccccc2)nc1CCOCc1ccccc1
InChIInChI=1S/C21H23NO2/c1-2-9-20-19(14-15-23-16-17-10-5-3-6-11-17)22-21(24-20)18-12-7-4-8-13-18/h3-8,10-13H,2,9,14-16H2,1H3
InChIKeyMNOAUUFZLPRFSC-UHFFFAOYSA-N
MW321.42 g/mol
LogP5.05
Rot. Bonds8

About 2-phenyl-4-(2-phenylmethoxyethyl)-5-propyl-1,3-oxazole

2-phenyl-4-(2-phenylmethoxyethyl)-5-propyl-1,3-oxazole (PubChem CID 22261206) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-phenyl-4-(2-phenylmethoxyethyl)-5-propyl-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-4-(2-phenylmethoxyethyl)-5-propyl-1,3-oxazole
PubChem CID22261206
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name2-phenyl-4-(2-phenylmethoxyethyl)-5-propyl-1,3-oxazole
SMILESCCCc1oc(-c2ccccc2)nc1CCOCc1ccccc1
InChIInChI=1S/C21H23NO2/c1-2-9-20-19(14-15-23-16-17-10-5-3-6-11-17)22-21(24-20)18-12-7-4-8-13-18/h3-8,10-13H,2,9,14-16H2,1H3
InChIKeyMNOAUUFZLPRFSC-UHFFFAOYSA-N
XLogP5.05
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2-phenylmethoxyethyl)-5-propyl-1,3-oxazole?
The IUPAC name of 2-phenyl-4-(2-phenylmethoxyethyl)-5-propyl-1,3-oxazole (CID 22261206) is 2-phenyl-4-(2-phenylmethoxyethyl)-5-propyl-1,3-oxazole.
What is the SMILES notation for 2-phenyl-4-(2-phenylmethoxyethyl)-5-propyl-1,3-oxazole?
The canonical SMILES for 2-phenyl-4-(2-phenylmethoxyethyl)-5-propyl-1,3-oxazole is CCCc1oc(-c2ccccc2)nc1CCOCc1ccccc1.
What is the InChIKey of 2-phenyl-4-(2-phenylmethoxyethyl)-5-propyl-1,3-oxazole?
The InChIKey is MNOAUUFZLPRFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-2-9-20-19(14-15-23-16-17-10-5-3-6-11-17)22-21(24-20)18-12-7-4-8-13-18/h3-8,10-13H,2,9,14-16H2,1H3.
What are the key properties of 2-phenyl-4-(2-phenylmethoxyethyl)-5-propyl-1,3-oxazole?
2-phenyl-4-(2-phenylmethoxyethyl)-5-propyl-1,3-oxazole has a molecular weight of 321.42 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(2-phenylmethoxyethyl)-5-propyl-1,3-oxazole is sourced from PubChem (CID 22261206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).