4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-phenyl-1,3-oxazole

C21H19N3O — CID 165414994

IUPAC4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-phenyl-1,3-oxazole
SMILESCn1cc(-c2ccccc2)nc1CCc1ncoc1-c1ccccc1
InChIInChI=1S/C21H19N3O/c1-24-14-19(16-8-4-2-5-9-16)23-20(24)13-12-18-21(25-15-22-18)17-10-6-3-7-11-17/h2-11,14-15H,12-13H2,1H3
InChIKeyOUWWVEUQVMLRCQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.53
Rot. Bonds5

About 4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-phenyl-1,3-oxazole

4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-phenyl-1,3-oxazole (PubChem CID 165414994) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-phenyl-1,3-oxazole
PubChem CID165414994
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-phenyl-1,3-oxazole
SMILESCn1cc(-c2ccccc2)nc1CCc1ncoc1-c1ccccc1
InChIInChI=1S/C21H19N3O/c1-24-14-19(16-8-4-2-5-9-16)23-20(24)13-12-18-21(25-15-22-18)17-10-6-3-7-11-17/h2-11,14-15H,12-13H2,1H3
InChIKeyOUWWVEUQVMLRCQ-UHFFFAOYSA-N
XLogP4.53
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-phenyl-1,3-oxazole (CID 165414994) is 4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-phenyl-1,3-oxazole is Cn1cc(-c2ccccc2)nc1CCc1ncoc1-c1ccccc1.
What is the InChIKey of 4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-phenyl-1,3-oxazole?
The InChIKey is OUWWVEUQVMLRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-24-14-19(16-8-4-2-5-9-16)23-20(24)13-12-18-21(25-15-22-18)17-10-6-3-7-11-17/h2-11,14-15H,12-13H2,1H3.
What are the key properties of 4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-phenyl-1,3-oxazole?
4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-phenyl-1,3-oxazole has a molecular weight of 329.40 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 165414994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).