3-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione

C28H26N4O3 — CID 17251390

IUPAC3-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(C)c(-c2nc(Cn3c(=O)c4c(C)cc(C)nc4n(-c4ccccc4)c3=O)c(C)o2)c1
InChIInChI=1S/C28H26N4O3/c1-16-11-12-17(2)22(13-16)26-30-23(20(5)35-26)15-31-27(33)24-18(3)14-19(4)29-25(24)32(28(31)34)21-9-7-6-8-10-21/h6-14H,15H2,1-5H3
InChIKeyQLTPABWBZJQKLM-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.79
Rot. Bonds4

About 3-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione

3-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 17251390) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is 3-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID17251390
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name3-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(C)c(-c2nc(Cn3c(=O)c4c(C)cc(C)nc4n(-c4ccccc4)c3=O)c(C)o2)c1
InChIInChI=1S/C28H26N4O3/c1-16-11-12-17(2)22(13-16)26-30-23(20(5)35-26)15-31-27(33)24-18(3)14-19(4)29-25(24)32(28(31)34)21-9-7-6-8-10-21/h6-14H,15H2,1-5H3
InChIKeyQLTPABWBZJQKLM-UHFFFAOYSA-N
XLogP4.79
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 17250495
3-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(furan-2-ylmethyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 28875203
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 7-methyl-3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250556
5,7-dimethyl-1-phenyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17250755
7-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one
CID 20951863
1-(4-methoxyphenyl)-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 50811143
2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide
CID 17250529
3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(furan-2-ylmethyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 25238646
2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-phenylpropyl)acetamide
CID 17250805
N-(2-chlorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 17250505
2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(2,3-dimethylphenyl)acetamide
CID 17251369

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione (CID 17251390) is 3-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione is Cc1ccc(C)c(-c2nc(Cn3c(=O)c4c(C)cc(C)nc4n(-c4ccccc4)c3=O)c(C)o2)c1.
What is the InChIKey of 3-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is QLTPABWBZJQKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-16-11-12-17(2)22(13-16)26-30-23(20(5)35-26)15-31-27(33)24-18(3)14-19(4)29-25(24)32(28(31)34)21-9-7-6-8-10-21/h6-14H,15H2,1-5H3.
What are the key properties of 3-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
3-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 466.54 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 17251390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).