5-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one

C19H18N4O5 — CID 22575313

IUPAC5-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(-c2nc(Cn3cnc4onc(C)c4c3=O)c(C)o2)cc1OC
InChIInChI=1S/C19H18N4O5/c1-10-16-18(28-22-10)20-9-23(19(16)24)8-13-11(2)27-17(21-13)12-5-6-14(25-3)15(7-12)26-4/h5-7,9H,8H2,1-4H3
InChIKeyOYSBJOORBLMCDB-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.72
Rot. Bonds5

About 5-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one

5-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one (PubChem CID 22575313) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is 5-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
PubChem CID22575313
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Name5-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(-c2nc(Cn3cnc4onc(C)c4c3=O)c(C)o2)cc1OC
InChIInChI=1S/C19H18N4O5/c1-10-16-18(28-22-10)20-9-23(19(16)24)8-13-11(2)27-17(21-13)12-5-6-14(25-3)15(7-12)26-4/h5-7,9H,8H2,1-4H3
InChIKeyOYSBJOORBLMCDB-UHFFFAOYSA-N
XLogP2.72
TPSA105.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 22575323
5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 22575316
ethyl 5-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46352955
ethyl 5-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46352977
7-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one
CID 20951786
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-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 45156819
2-(3,4-dimethoxyphenyl)-5-methyl-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole
CID 25460209
2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53210695
3-[1-[[2-(4-hydroxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-2-yl]-1-methylpyridin-2-one
CID 155498446
2-(3,4-dimethoxyphenyl)-4-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 56753626
3-(3-methoxy-4-propan-2-yloxyphenyl)-5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-1,2,4-oxadiazole
CID 50838051

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 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) is 5-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one is COc1ccc(-c2nc(Cn3cnc4onc(C)c4c3=O)c(C)o2)cc1OC.
What is the InChIKey of 5-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OYSBJOORBLMCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c1-10-16-18(28-22-10)20-9-23(19(16)24)8-13-11(2)27-17(21-13)12-5-6-14(25-3)15(7-12)26-4/h5-7,9H,8H2,1-4H3.
What are the key properties of 5-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
5-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one has a molecular weight of 382.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 22575313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).