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

C22H19N3O5 — CID 102589294

IUPAC3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2cc(Cn3ccc(=O)n(-c4ccc(OC)cc4)c3=O)on2)cc1
InChIInChI=1S/C22H19N3O5/c1-28-17-7-3-15(4-8-17)20-13-19(30-23-20)14-24-12-11-21(26)25(22(24)27)16-5-9-18(29-2)10-6-16/h3-13H,14H2,1-2H3
InChIKeyYXABNKAJJZLJKD-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.72
Rot. Bonds6

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

3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-dione (PubChem CID 102589294) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-dione
PubChem CID102589294
Molecular FormulaC22H19N3O5
Molecular Weight405.41 g/mol
Exact Mass405.13
IUPAC Name3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2cc(Cn3ccc(=O)n(-c4ccc(OC)cc4)c3=O)on2)cc1
InChIInChI=1S/C22H19N3O5/c1-28-17-7-3-15(4-8-17)20-13-19(30-23-20)14-24-12-11-21(26)25(22(24)27)16-5-9-18(29-2)10-6-16/h3-13H,14H2,1-2H3
InChIKeyYXABNKAJJZLJKD-UHFFFAOYSA-N
XLogP2.72
TPSA88.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-dione (CID 102589294) is 3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-dione is COc1ccc(-c2cc(Cn3ccc(=O)n(-c4ccc(OC)cc4)c3=O)on2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is YXABNKAJJZLJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5/c1-28-17-7-3-15(4-8-17)20-13-19(30-23-20)14-24-12-11-21(26)25(22(24)27)16-5-9-18(29-2)10-6-16/h3-13H,14H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-dione?
3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 405.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 102589294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).