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

C20H16N4O4 — CID 162655357

IUPAC1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2nc(-c3ccc(Cn4ccc(=O)[nH]c4=O)cc3)no2)cc1
InChIInChI=1S/C20H16N4O4/c1-27-16-8-6-15(7-9-16)19-22-18(23-28-19)14-4-2-13(3-5-14)12-24-11-10-17(25)21-20(24)26/h2-11H,12H2,1H3,(H,21,25,26)
InChIKeyJLHHBEJVXLQFRK-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.31
Rot. Bonds5

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

1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione (PubChem CID 162655357) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is 1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione
PubChem CID162655357
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2nc(-c3ccc(Cn4ccc(=O)[nH]c4=O)cc3)no2)cc1
InChIInChI=1S/C20H16N4O4/c1-27-16-8-6-15(7-9-16)19-22-18(23-28-19)14-4-2-13(3-5-14)12-24-11-10-17(25)21-20(24)26/h2-11H,12H2,1H3,(H,21,25,26)
InChIKeyJLHHBEJVXLQFRK-UHFFFAOYSA-N
XLogP2.31
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione (CID 162655357) is 1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione is COc1ccc(-c2nc(-c3ccc(Cn4ccc(=O)[nH]c4=O)cc3)no2)cc1.
What is the InChIKey of 1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione?
The InChIKey is JLHHBEJVXLQFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-27-16-8-6-15(7-9-16)19-22-18(23-28-19)14-4-2-13(3-5-14)12-24-11-10-17(25)21-20(24)26/h2-11H,12H2,1H3,(H,21,25,26).
What are the key properties of 1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione?
1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione has a molecular weight of 376.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 162655357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).