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

C26H21ClN4O3 — CID 17250495

IUPAC3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc(C)c2c(=O)n(Cc3nc(-c4ccccc4Cl)oc3C)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C26H21ClN4O3/c1-15-13-16(2)28-23-22(15)25(32)30(26(33)31(23)18-9-5-4-6-10-18)14-21-17(3)34-24(29-21)19-11-7-8-12-20(19)27/h4-13H,14H2,1-3H3
InChIKeyCQPMYLBSMMBBQQ-UHFFFAOYSA-N
MW472.93 g/mol
LogP4.83
Rot. Bonds4

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

3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 17250495) has the molecular formula C26H21ClN4O3 and a molecular weight of 472.93 g/mol. Its IUPAC name is 3-[[2-(2-chlorophenyl)-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-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID17250495
Molecular FormulaC26H21ClN4O3
Molecular Weight472.93 g/mol
Exact Mass472.13
IUPAC Name3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc(C)c2c(=O)n(Cc3nc(-c4ccccc4Cl)oc3C)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C26H21ClN4O3/c1-15-13-16(2)28-23-22(15)25(32)30(26(33)31(23)18-9-5-4-6-10-18)14-21-17(3)34-24(29-21)19-11-7-8-12-20(19)27/h4-13H,14H2,1-3H3
InChIKeyCQPMYLBSMMBBQQ-UHFFFAOYSA-N
XLogP4.83
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.93
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
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 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 28867696
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
N-(2-chlorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 17250505
5,7-dimethyl-1-phenyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17250755
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
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
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
4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-phenylpiperazin-2-one
CID 25374674
5-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 22575316
ethyl 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 50812780

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chlorophenyl)-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-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione (CID 17250495) is 3-[[2-(2-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione is Cc1cc(C)c2c(=O)n(Cc3nc(-c4ccccc4Cl)oc3C)c(=O)n(-c3ccccc3)c2n1.
What is the InChIKey of 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CQPMYLBSMMBBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O3/c1-15-13-16(2)28-23-22(15)25(32)30(26(33)31(23)18-9-5-4-6-10-18)14-21-17(3)34-24(29-21)19-11-7-8-12-20(19)27/h4-13H,14H2,1-3H3.
What are the key properties of 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5,7-dimethyl-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
3-[[2-(2-chlorophenyl)-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 472.93 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chlorophenyl)-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 17250495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).