2-(3-ethoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole

C21H19N3O2 — CID 56665950

IUPAC2-(3-ethoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCCOc1cccc(-c2nc(Cn3cnc(-c4ccccc4)c3)co2)c1
InChIInChI=1S/C21H19N3O2/c1-2-25-19-10-6-9-17(11-19)21-23-18(14-26-21)12-24-13-20(22-15-24)16-7-4-3-5-8-16/h3-11,13-15H,2,12H2,1H3
InChIKeyVNCFLMVNPXCQNQ-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.65
Rot. Bonds6

About 2-(3-ethoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole

2-(3-ethoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole (PubChem CID 56665950) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
PubChem CID56665950
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-(3-ethoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCCOc1cccc(-c2nc(Cn3cnc(-c4ccccc4)c3)co2)c1
InChIInChI=1S/C21H19N3O2/c1-2-25-19-10-6-9-17(11-19)21-23-18(14-26-21)12-24-13-20(22-15-24)16-7-4-3-5-8-16/h3-11,13-15H,2,12H2,1H3
InChIKeyVNCFLMVNPXCQNQ-UHFFFAOYSA-N
XLogP4.65
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(3-ethoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole (CID 56665950) is 2-(3-ethoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(3-ethoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(3-ethoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole is CCOc1cccc(-c2nc(Cn3cnc(-c4ccccc4)c3)co2)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is VNCFLMVNPXCQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-2-25-19-10-6-9-17(11-19)21-23-18(14-26-21)12-24-13-20(22-15-24)16-7-4-3-5-8-16/h3-11,13-15H,2,12H2,1H3.
What are the key properties of 2-(3-ethoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole?
2-(3-ethoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 345.40 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56665950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).