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

C25H21ClN4O4 — CID 25238646

IUPAC3-[[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
SMILESCc1cc(C)c2c(=O)n(Cc3nc(-c4cccc(Cl)c4)oc3C)c(=O)n(Cc3ccco3)c2n1
InChIInChI=1S/C25H21ClN4O4/c1-14-10-15(2)27-22-21(14)24(31)30(25(32)29(22)12-19-8-5-9-33-19)13-20-16(3)34-23(28-20)17-6-4-7-18(26)11-17/h4-11H,12-13H2,1-3H3
InChIKeyGLEDAEZVBWOCDE-UHFFFAOYSA-N
MW476.92 g/mol
LogP4.48
Rot. Bonds5

About 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

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 (PubChem CID 25238646) has the molecular formula C25H21ClN4O4 and a molecular weight of 476.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[[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
PubChem CID25238646
Molecular FormulaC25H21ClN4O4
Molecular Weight476.92 g/mol
Exact Mass476.13
IUPAC Name3-[[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
SMILESCc1cc(C)c2c(=O)n(Cc3nc(-c4cccc(Cl)c4)oc3C)c(=O)n(Cc3ccco3)c2n1
InChIInChI=1S/C25H21ClN4O4/c1-14-10-15(2)27-22-21(14)24(31)30(25(32)29(22)12-19-8-5-9-33-19)13-20-16(3)34-23(28-20)17-6-4-7-18(26)11-17/h4-11H,12-13H2,1-3H3
InChIKeyGLEDAEZVBWOCDE-UHFFFAOYSA-N
XLogP4.48
TPSA96.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.92
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)c2c(=O)n(Cc3nc(-c4cccc(Cl)c4)oc3C)c(=O)n(Cc3ccco3)c2n1.
What is the InChIKey of 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?
The InChIKey is GLEDAEZVBWOCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O4/c1-14-10-15(2)27-22-21(14)24(31)30(25(32)29(22)12-19-8-5-9-33-19)13-20-16(3)34-23(28-20)17-6-4-7-18(26)11-17/h4-11H,12-13H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 476.92 g/mol, XLogP of 4.48, 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-(furan-2-ylmethyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 25238646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).