3-[1-[[2-(4-hydroxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-2-yl]-1-methylpyridin-2-one

C21H20N4O4 — CID 155498446

IUPAC3-[1-[[2-(4-hydroxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-2-yl]-1-methylpyridin-2-one
SMILESCOc1cc(-c2nc(Cn3ccnc3-c3cccn(C)c3=O)c(C)o2)ccc1O
InChIInChI=1S/C21H20N4O4/c1-13-16(23-20(29-13)14-6-7-17(26)18(11-14)28-3)12-25-10-8-22-19(25)15-5-4-9-24(2)21(15)27/h4-11,26H,12H2,1-3H3
InChIKeyIYZAVQSYMLMRDM-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.97
Rot. Bonds5

About 3-[1-[[2-(4-hydroxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-2-yl]-1-methylpyridin-2-one

3-[1-[[2-(4-hydroxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-2-yl]-1-methylpyridin-2-one (PubChem CID 155498446) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 3-[1-[[2-(4-hydroxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-2-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[1-[[2-(4-hydroxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-2-yl]-1-methylpyridin-2-one
PubChem CID155498446
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name3-[1-[[2-(4-hydroxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-2-yl]-1-methylpyridin-2-one
SMILESCOc1cc(-c2nc(Cn3ccnc3-c3cccn(C)c3=O)c(C)o2)ccc1O
InChIInChI=1S/C21H20N4O4/c1-13-16(23-20(29-13)14-6-7-17(26)18(11-14)28-3)12-25-10-8-22-19(25)15-5-4-9-24(2)21(15)27/h4-11,26H,12H2,1-3H3
InChIKeyIYZAVQSYMLMRDM-UHFFFAOYSA-N
XLogP2.97
TPSA95.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 22575313
5-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole
CID 56755977
5-methyl-4-[(2-methylsulfonylimidazol-1-yl)methyl]-2-phenyl-1,3-oxazole
CID 71981264
2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 154890867
2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53093080
2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole
CID 56757332
2-(3,4-dimethoxyphenyl)-5-methyl-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole
CID 25460209
4-[(2-ethylimidazol-1-yl)methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole
CID 56752749
2-(2-chlorophenyl)-5-methyl-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 56738899
ethyl 1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-2-carboxylate
CID 56743702
4-[(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazole
CID 56855054
2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 56738740

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[2-(4-hydroxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-2-yl]-1-methylpyridin-2-one?
The IUPAC name of 3-[1-[[2-(4-hydroxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-2-yl]-1-methylpyridin-2-one (CID 155498446) is 3-[1-[[2-(4-hydroxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-2-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-[1-[[2-(4-hydroxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-2-yl]-1-methylpyridin-2-one?
The canonical SMILES for 3-[1-[[2-(4-hydroxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-2-yl]-1-methylpyridin-2-one is COc1cc(-c2nc(Cn3ccnc3-c3cccn(C)c3=O)c(C)o2)ccc1O.
What is the InChIKey of 3-[1-[[2-(4-hydroxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-2-yl]-1-methylpyridin-2-one?
The InChIKey is IYZAVQSYMLMRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-13-16(23-20(29-13)14-6-7-17(26)18(11-14)28-3)12-25-10-8-22-19(25)15-5-4-9-24(2)21(15)27/h4-11,26H,12H2,1-3H3.
What are the key properties of 3-[1-[[2-(4-hydroxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-2-yl]-1-methylpyridin-2-one?
3-[1-[[2-(4-hydroxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-2-yl]-1-methylpyridin-2-one has a molecular weight of 392.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[2-(4-hydroxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-2-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 155498446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).