methyl 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate

C24H24N4O6 — CID 50811139

IUPACmethyl 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(C)nc2c1c(=O)n(CCc1c(C)noc1C)c(=O)n2-c1ccccc1OC
InChIInChI=1S/C24H24N4O6/c1-13-12-17(23(30)33-5)20-21(25-13)28(18-8-6-7-9-19(18)32-4)24(31)27(22(20)29)11-10-16-14(2)26-34-15(16)3/h6-9,12H,10-11H2,1-5H3
InChIKeyJIBXQUDBVBBCDF-UHFFFAOYSA-N
MW464.48 g/mol
LogP2.50
Rot. Bonds6

About methyl 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate

methyl 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 50811139) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is methyl 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
PubChem CID50811139
Molecular FormulaC24H24N4O6
Molecular Weight464.48 g/mol
Exact Mass464.17
IUPAC Namemethyl 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(C)nc2c1c(=O)n(CCc1c(C)noc1C)c(=O)n2-c1ccccc1OC
InChIInChI=1S/C24H24N4O6/c1-13-12-17(23(30)33-5)20-21(25-13)28(18-8-6-7-9-19(18)32-4)24(31)27(22(20)29)11-10-16-14(2)26-34-15(16)3/h6-9,12H,10-11H2,1-5H3
InChIKeyJIBXQUDBVBBCDF-UHFFFAOYSA-N
XLogP2.50
TPSA118.45 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze methyl 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate with MolForge

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Related Compounds

methyl 1-(2-methoxyphenyl)-7-methyl-3-[(3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 50811171
1-(2-methoxyphenyl)-5,7-dimethyl-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 17250585
methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 117054172
methyl 7-cyclopropyl-3-[(4-ethenylphenyl)methyl]-1-(2-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250699
N-(3,4-dimethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 17250594
methyl 3-(2-anilino-2-oxoethyl)-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250645
methyl 1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250728
N-(2-ethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 17250713
3-[(3-chlorophenyl)methyl]-1-(2-methoxyphenyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 17250632
N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 50811242
methyl 7-methyl-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250648
methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 29057460

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of methyl 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate (CID 50811139) is methyl 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate is COC(=O)c1cc(C)nc2c1c(=O)n(CCc1c(C)noc1C)c(=O)n2-c1ccccc1OC.
What is the InChIKey of methyl 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is JIBXQUDBVBBCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O6/c1-13-12-17(23(30)33-5)20-21(25-13)28(18-8-6-7-9-19(18)32-4)24(31)27(22(20)29)11-10-16-14(2)26-34-15(16)3/h6-9,12H,10-11H2,1-5H3.
What are the key properties of methyl 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
methyl 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 464.48 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 50811139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).