5-bromo-1-[2-(4-fluorophenyl)-5-phenyl-1,3-oxazol-4-yl]pyrimidine-2,4-dione

C19H11BrFN3O3 — CID 171098823

IUPAC5-bromo-1-[2-(4-fluorophenyl)-5-phenyl-1,3-oxazol-4-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2nc(-c3ccc(F)cc3)oc2-c2ccccc2)cc1Br
InChIInChI=1S/C19H11BrFN3O3/c20-14-10-24(19(26)23-17(14)25)16-15(11-4-2-1-3-5-11)27-18(22-16)12-6-8-13(21)9-7-12/h1-10H,(H,23,25,26)
InChIKeyWIIAZQZTYHQZMB-UHFFFAOYSA-N
MW428.22 g/mol
LogP3.75
Rot. Bonds3

About 5-bromo-1-[2-(4-fluorophenyl)-5-phenyl-1,3-oxazol-4-yl]pyrimidine-2,4-dione

5-bromo-1-[2-(4-fluorophenyl)-5-phenyl-1,3-oxazol-4-yl]pyrimidine-2,4-dione (PubChem CID 171098823) has the molecular formula C19H11BrFN3O3 and a molecular weight of 428.22 g/mol. Its IUPAC name is 5-bromo-1-[2-(4-fluorophenyl)-5-phenyl-1,3-oxazol-4-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-[2-(4-fluorophenyl)-5-phenyl-1,3-oxazol-4-yl]pyrimidine-2,4-dione
PubChem CID171098823
Molecular FormulaC19H11BrFN3O3
Molecular Weight428.22 g/mol
Exact Mass427.00
IUPAC Name5-bromo-1-[2-(4-fluorophenyl)-5-phenyl-1,3-oxazol-4-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2nc(-c3ccc(F)cc3)oc2-c2ccccc2)cc1Br
InChIInChI=1S/C19H11BrFN3O3/c20-14-10-24(19(26)23-17(14)25)16-15(11-4-2-1-3-5-11)27-18(22-16)12-6-8-13(21)9-7-12/h1-10H,(H,23,25,26)
InChIKeyWIIAZQZTYHQZMB-UHFFFAOYSA-N
XLogP3.75
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.22
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]pyrimidine-2,4-dione
CID 171098868
4-anilino-1-(2,5-diphenyl-1,3-oxazol-4-yl)-5-methylpyrimidin-2-one
CID 3297198
4,5-bis(4-bromophenyl)-2-phenyl-1,3-oxazole
CID 71740991
5-(4-fluorophenyl)-3-phenyl-1,3,4-oxadiazol-2-one
CID 134966944
2-(4-fluorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 3514283
1-(2,5-diphenyl-1,3-oxazol-4-yl)-4-morpholin-4-ylpyrimidin-2-one
CID 980411
5-methyl-2,6-diphenyl-1,3-oxazin-4-one
CID 13028435
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
5-bromo-1-[5-(4-chloro-3-fluorophenyl)-2-(3-methylphenyl)-1,3-oxazol-4-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one
CID 171098763
7-[5-(4-chlorophenyl)-2-phenyl-1,3-oxazol-4-yl]-5-(2-trimethylsilylethynyl)-1,7-naphthyridin-8-one
CID 171098995
2-(4-fluorophenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 53268728
5-bromo-1-(4-chlorophenyl)pyrimidine-2,4-dione
CID 638640

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(4-fluorophenyl)-5-phenyl-1,3-oxazol-4-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-[2-(4-fluorophenyl)-5-phenyl-1,3-oxazol-4-yl]pyrimidine-2,4-dione (CID 171098823) is 5-bromo-1-[2-(4-fluorophenyl)-5-phenyl-1,3-oxazol-4-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-[2-(4-fluorophenyl)-5-phenyl-1,3-oxazol-4-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-[2-(4-fluorophenyl)-5-phenyl-1,3-oxazol-4-yl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2nc(-c3ccc(F)cc3)oc2-c2ccccc2)cc1Br.
What is the InChIKey of 5-bromo-1-[2-(4-fluorophenyl)-5-phenyl-1,3-oxazol-4-yl]pyrimidine-2,4-dione?
The InChIKey is WIIAZQZTYHQZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrFN3O3/c20-14-10-24(19(26)23-17(14)25)16-15(11-4-2-1-3-5-11)27-18(22-16)12-6-8-13(21)9-7-12/h1-10H,(H,23,25,26).
What are the key properties of 5-bromo-1-[2-(4-fluorophenyl)-5-phenyl-1,3-oxazol-4-yl]pyrimidine-2,4-dione?
5-bromo-1-[2-(4-fluorophenyl)-5-phenyl-1,3-oxazol-4-yl]pyrimidine-2,4-dione has a molecular weight of 428.22 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(4-fluorophenyl)-5-phenyl-1,3-oxazol-4-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 171098823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).