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

C25H17FN4O3 — CID 162649826

IUPAC5-fluoro-1-[[4-[5-(4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(-c3noc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1F
InChIInChI=1S/C25H17FN4O3/c26-21-15-30(25(32)28-23(21)31)14-16-6-8-19(9-7-16)22-27-24(33-29-22)20-12-10-18(11-13-20)17-4-2-1-3-5-17/h1-13,15H,14H2,(H,28,31,32)
InChIKeyAYUGRJQOXBOFOC-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.11
Rot. Bonds5

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

5-fluoro-1-[[4-[5-(4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione (PubChem CID 162649826) has the molecular formula C25H17FN4O3 and a molecular weight of 440.43 g/mol. Its IUPAC name is 5-fluoro-1-[[4-[5-(4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[[4-[5-(4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione
PubChem CID162649826
Molecular FormulaC25H17FN4O3
Molecular Weight440.43 g/mol
Exact Mass440.13
IUPAC Name5-fluoro-1-[[4-[5-(4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(-c3noc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1F
InChIInChI=1S/C25H17FN4O3/c26-21-15-30(25(32)28-23(21)31)14-16-6-8-19(9-7-16)22-27-24(33-29-22)20-12-10-18(11-13-20)17-4-2-1-3-5-17/h1-13,15H,14H2,(H,28,31,32)
InChIKeyAYUGRJQOXBOFOC-UHFFFAOYSA-N
XLogP4.11
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[[4-[5-(4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[[4-[5-(4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione (CID 162649826) is 5-fluoro-1-[[4-[5-(4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[[4-[5-(4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[[4-[5-(4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccc(-c3noc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1F.
What is the InChIKey of 5-fluoro-1-[[4-[5-(4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione?
The InChIKey is AYUGRJQOXBOFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN4O3/c26-21-15-30(25(32)28-23(21)31)14-16-6-8-19(9-7-16)22-27-24(33-29-22)20-12-10-18(11-13-20)17-4-2-1-3-5-17/h1-13,15H,14H2,(H,28,31,32).
What are the key properties of 5-fluoro-1-[[4-[5-(4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione?
5-fluoro-1-[[4-[5-(4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione has a molecular weight of 440.43 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[[4-[5-(4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 162649826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).