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

C26H19FN4O4 — CID 162656254

IUPAC5-fluoro-1-[[4-[5-[4-(4-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2ccc(-c3nc(-c4ccc(Cn5cc(F)c(=O)[nH]c5=O)cc4)no3)cc2)cc1
InChIInChI=1S/C26H19FN4O4/c1-34-21-12-10-18(11-13-21)17-6-8-20(9-7-17)25-28-23(30-35-25)19-4-2-16(3-5-19)14-31-15-22(27)24(32)29-26(31)33/h2-13,15H,14H2,1H3,(H,29,32,33)
InChIKeyPCXGMPZITBAULK-UHFFFAOYSA-N
MW470.46 g/mol
LogP4.12
Rot. Bonds6

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

5-fluoro-1-[[4-[5-[4-(4-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione (PubChem CID 162656254) has the molecular formula C26H19FN4O4 and a molecular weight of 470.46 g/mol. Its IUPAC name is 5-fluoro-1-[[4-[5-[4-(4-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[[4-[5-[4-(4-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione
PubChem CID162656254
Molecular FormulaC26H19FN4O4
Molecular Weight470.46 g/mol
Exact Mass470.14
IUPAC Name5-fluoro-1-[[4-[5-[4-(4-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2ccc(-c3nc(-c4ccc(Cn5cc(F)c(=O)[nH]c5=O)cc4)no3)cc2)cc1
InChIInChI=1S/C26H19FN4O4/c1-34-21-12-10-18(11-13-21)17-6-8-20(9-7-17)25-28-23(30-35-25)19-4-2-16(3-5-19)14-31-15-22(27)24(32)29-26(31)33/h2-13,15H,14H2,1H3,(H,29,32,33)
InChIKeyPCXGMPZITBAULK-UHFFFAOYSA-N
XLogP4.12
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 54.12
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-(4-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[[4-[5-[4-(4-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione (CID 162656254) is 5-fluoro-1-[[4-[5-[4-(4-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[[4-[5-[4-(4-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[[4-[5-[4-(4-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione is COc1ccc(-c2ccc(-c3nc(-c4ccc(Cn5cc(F)c(=O)[nH]c5=O)cc4)no3)cc2)cc1.
What is the InChIKey of 5-fluoro-1-[[4-[5-[4-(4-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione?
The InChIKey is PCXGMPZITBAULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O4/c1-34-21-12-10-18(11-13-21)17-6-8-20(9-7-17)25-28-23(30-35-25)19-4-2-16(3-5-19)14-31-15-22(27)24(32)29-26(31)33/h2-13,15H,14H2,1H3,(H,29,32,33).
What are the key properties of 5-fluoro-1-[[4-[5-[4-(4-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione?
5-fluoro-1-[[4-[5-[4-(4-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione has a molecular weight of 470.46 g/mol, XLogP of 4.12, 6 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-(4-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 162656254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).