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

C26H22N4O4 — CID 50811143

IUPAC1-(4-methoxyphenyl)-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(=O)n(Cc3nc(-c4ccccc4C)oc3C)c(=O)c3cccnc32)cc1
InChIInChI=1S/C26H22N4O4/c1-16-7-4-5-8-20(16)24-28-22(17(2)34-24)15-29-25(31)21-9-6-14-27-23(21)30(26(29)32)18-10-12-19(33-3)13-11-18/h4-14H,15H2,1-3H3
InChIKeyFLOVJQXTLAVUPM-UHFFFAOYSA-N
MW454.49 g/mol
LogP3.88
Rot. Bonds5

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

1-(4-methoxyphenyl)-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 50811143) has the molecular formula C26H22N4O4 and a molecular weight of 454.49 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID50811143
Molecular FormulaC26H22N4O4
Molecular Weight454.49 g/mol
Exact Mass454.16
IUPAC Name1-(4-methoxyphenyl)-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(=O)n(Cc3nc(-c4ccccc4C)oc3C)c(=O)c3cccnc32)cc1
InChIInChI=1S/C26H22N4O4/c1-16-7-4-5-8-20(16)24-28-22(17(2)34-24)15-29-25(31)21-9-6-14-27-23(21)30(26(29)32)18-10-12-19(33-3)13-11-18/h4-14H,15H2,1-3H3
InChIKeyFLOVJQXTLAVUPM-UHFFFAOYSA-N
XLogP3.88
TPSA92.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 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) is 1-(4-methoxyphenyl)-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(-n2c(=O)n(Cc3nc(-c4ccccc4C)oc3C)c(=O)c3cccnc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is FLOVJQXTLAVUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O4/c1-16-7-4-5-8-20(16)24-28-22(17(2)34-24)15-29-25(31)21-9-6-14-27-23(21)30(26(29)32)18-10-12-19(33-3)13-11-18/h4-14H,15H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
1-(4-methoxyphenyl)-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 454.49 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 50811143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).