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

C22H21N3O4 — CID 56665003

IUPAC4-[(4-phenylimidazol-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
SMILESCOc1cc(-c2nc(Cn3cnc(-c4ccccc4)c3)co2)cc(OC)c1OC
InChIInChI=1S/C22H21N3O4/c1-26-19-9-16(10-20(27-2)21(19)28-3)22-24-17(13-29-22)11-25-12-18(23-14-25)15-7-5-4-6-8-15/h4-10,12-14H,11H2,1-3H3
InChIKeyXGQGQEKEKZTOQX-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.28
Rot. Bonds7

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

4-[(4-phenylimidazol-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole (PubChem CID 56665003) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 4-[(4-phenylimidazol-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(4-phenylimidazol-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
PubChem CID56665003
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name4-[(4-phenylimidazol-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
SMILESCOc1cc(-c2nc(Cn3cnc(-c4ccccc4)c3)co2)cc(OC)c1OC
InChIInChI=1S/C22H21N3O4/c1-26-19-9-16(10-20(27-2)21(19)28-3)22-24-17(13-29-22)11-25-12-18(23-14-25)15-7-5-4-6-8-15/h4-10,12-14H,11H2,1-3H3
InChIKeyXGQGQEKEKZTOQX-UHFFFAOYSA-N
XLogP4.28
TPSA71.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-naphthalen-1-yl-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
CID 56665274
4-[(4-phenylpiperazin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 56669146
2-[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]ethanamine
CID 82489230
2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethanol
CID 18515724
(E)-[(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydrazine
CID 87276449
N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
CID 56661925
3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 46392754
3-[methyl-[[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl]amino]propanenitrile
CID 56666934
2-[[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione
CID 68983901
[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methanamine
CID 68981656
N-[[4-[2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-N-methylethanamine
CID 54398589
[3-(1-benzylimidazol-4-yl)-4-methoxyphenyl]methanamine
CID 175228436

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylimidazol-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
The IUPAC name of 4-[(4-phenylimidazol-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole (CID 56665003) is 4-[(4-phenylimidazol-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[(4-phenylimidazol-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
The canonical SMILES for 4-[(4-phenylimidazol-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole is COc1cc(-c2nc(Cn3cnc(-c4ccccc4)c3)co2)cc(OC)c1OC.
What is the InChIKey of 4-[(4-phenylimidazol-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
The InChIKey is XGQGQEKEKZTOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-26-19-9-16(10-20(27-2)21(19)28-3)22-24-17(13-29-22)11-25-12-18(23-14-25)15-7-5-4-6-8-15/h4-10,12-14H,11H2,1-3H3.
What are the key properties of 4-[(4-phenylimidazol-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole?
4-[(4-phenylimidazol-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole has a molecular weight of 391.43 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylimidazol-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 56665003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).