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

C20H15FN4O4 — CID 155907086

IUPAC5-fluoro-1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2nc(-c3ccc(Cn4cc(F)c(=O)[nH]c4=O)cc3)no2)cc1
InChIInChI=1S/C20H15FN4O4/c1-28-15-8-6-14(7-9-15)19-22-17(24-29-19)13-4-2-12(3-5-13)10-25-11-16(21)18(26)23-20(25)27/h2-9,11H,10H2,1H3,(H,23,26,27)
InChIKeyOXRQKBJJNIHQTD-UHFFFAOYSA-N
MW394.36 g/mol
LogP2.45
Rot. Bonds5

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

5-fluoro-1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione (PubChem CID 155907086) has the molecular formula C20H15FN4O4 and a molecular weight of 394.36 g/mol. Its IUPAC name is 5-fluoro-1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione
PubChem CID155907086
Molecular FormulaC20H15FN4O4
Molecular Weight394.36 g/mol
Exact Mass394.11
IUPAC Name5-fluoro-1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2nc(-c3ccc(Cn4cc(F)c(=O)[nH]c4=O)cc3)no2)cc1
InChIInChI=1S/C20H15FN4O4/c1-28-15-8-6-14(7-9-15)19-22-17(24-29-19)13-4-2-12(3-5-13)10-25-11-16(21)18(26)23-20(25)27/h2-9,11H,10H2,1H3,(H,23,26,27)
InChIKeyOXRQKBJJNIHQTD-UHFFFAOYSA-N
XLogP2.45
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione (CID 155907086) is 5-fluoro-1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione is COc1ccc(-c2nc(-c3ccc(Cn4cc(F)c(=O)[nH]c4=O)cc3)no2)cc1.
What is the InChIKey of 5-fluoro-1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione?
The InChIKey is OXRQKBJJNIHQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O4/c1-28-15-8-6-14(7-9-15)19-22-17(24-29-19)13-4-2-12(3-5-13)10-25-11-16(21)18(26)23-20(25)27/h2-9,11H,10H2,1H3,(H,23,26,27).
What are the key properties of 5-fluoro-1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione?
5-fluoro-1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione has a molecular weight of 394.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 155907086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).