3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione

C25H19ClN4O4 — CID 50811229

IUPAC3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1-n1c(=O)n(Cc2nc(-c3cccc(Cl)c3)oc2C)c(=O)c2cccnc21
InChIInChI=1S/C25H19ClN4O4/c1-15-19(28-23(34-15)16-7-5-8-17(26)13-16)14-29-24(31)18-9-6-12-27-22(18)30(25(29)32)20-10-3-4-11-21(20)33-2/h3-13H,14H2,1-2H3
InChIKeyGMLSENSRPPYJSA-UHFFFAOYSA-N
MW474.90 g/mol
LogP4.22
Rot. Bonds5

About 3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione

3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 50811229) has the molecular formula C25H19ClN4O4 and a molecular weight of 474.90 g/mol. Its IUPAC name is 3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID50811229
Molecular FormulaC25H19ClN4O4
Molecular Weight474.90 g/mol
Exact Mass474.11
IUPAC Name3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1-n1c(=O)n(Cc2nc(-c3cccc(Cl)c3)oc2C)c(=O)c2cccnc21
InChIInChI=1S/C25H19ClN4O4/c1-15-19(28-23(34-15)16-7-5-8-17(26)13-16)14-29-24(31)18-9-6-12-27-22(18)30(25(29)32)20-10-3-4-11-21(20)33-2/h3-13H,14H2,1-2H3
InChIKeyGMLSENSRPPYJSA-UHFFFAOYSA-N
XLogP4.22
TPSA92.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.90
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 50811229) is 3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione is COc1ccccc1-n1c(=O)n(Cc2nc(-c3cccc(Cl)c3)oc2C)c(=O)c2cccnc21.
What is the InChIKey of 3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is GMLSENSRPPYJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O4/c1-15-19(28-23(34-15)16-7-5-8-17(26)13-16)14-29-24(31)18-9-6-12-27-22(18)30(25(29)32)20-10-3-4-11-21(20)33-2/h3-13H,14H2,1-2H3.
What are the key properties of 3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 474.90 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 50811229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).