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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Related Compounds

3-Isopropyl-6-(4-phenyl-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 9948405
Triazolopyridine oxazole inhibitor 31
CID 9965793
Triazolopyridine oxazole inhibitor 35
CID 23647328
Triazolopyridine oxazole inhibitor 50
CID 23647335
5-(Furan-2-yl(1H-imidazol-1-yl)methyl)-2-phenylpyridine
CID 57330008
2-Furan-2-yl-5-imidazol-1-ylmethyl-pyridine
CID 67510362
3-(Furan-2-yl)-1-phenylimidazo[1,5-a]pyridine
CID 728608
1-(4-Methoxyphenyl)-2-[3-(4-methoxyphenyl)pyrrolidino[1,2-a]imidazolyl]ethan-1-one
CID 1351339
3-(4-Methoxyphenyl)-1-[2-(3-methoxyphenyl)-2-oxoethyl]-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
CID 1384103
3-(4-Methoxyphenyl)-1-(2-oxo-2-phenylethyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
CID 1397901
1-[2-(4-Ethylphenyl)-2-oxoethyl]-3-(4-methoxyphenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
CID 1416592
3-(4-Methoxyphenyl)-1-[2-(4-methylphenyl)-2-oxoethyl]-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
CID 1416598

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).