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

C28H24N4O5 — CID 17250648

IUPACmethyl 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
SMILESCOC(=O)c1cc(C)nc2c1c(=O)n(Cc1nc(-c3ccccc3C)oc1C)c(=O)n2-c1ccccc1
InChIInChI=1S/C28H24N4O5/c1-16-10-8-9-13-20(16)25-30-22(18(3)37-25)15-31-26(33)23-21(27(34)36-4)14-17(2)29-24(23)32(28(31)35)19-11-6-5-7-12-19/h5-14H,15H2,1-4H3
InChIKeyHBZGDTVMRWWYIX-UHFFFAOYSA-N
MW496.52 g/mol
LogP3.96
Rot. Bonds5

About 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

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 (PubChem CID 17250648) has the molecular formula C28H24N4O5 and a molecular weight of 496.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 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
PubChem CID17250648
Molecular FormulaC28H24N4O5
Molecular Weight496.52 g/mol
Exact Mass496.17
IUPAC Namemethyl 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
SMILESCOC(=O)c1cc(C)nc2c1c(=O)n(Cc1nc(-c3ccccc3C)oc1C)c(=O)n2-c1ccccc1
InChIInChI=1S/C28H24N4O5/c1-16-10-8-9-13-20(16)25-30-22(18(3)37-25)15-31-26(33)23-21(27(34)36-4)14-17(2)29-24(23)32(28(31)35)19-11-6-5-7-12-19/h5-14H,15H2,1-4H3
InChIKeyHBZGDTVMRWWYIX-UHFFFAOYSA-N
XLogP3.96
TPSA109.22 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.52
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)c1cc(C)nc2c1c(=O)n(Cc1nc(-c3ccccc3C)oc1C)c(=O)n2-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is HBZGDTVMRWWYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O5/c1-16-10-8-9-13-20(16)25-30-22(18(3)37-25)15-31-26(33)23-21(27(34)36-4)14-17(2)29-24(23)32(28(31)35)19-11-6-5-7-12-19/h5-14H,15H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 496.52 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 17250648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).