6-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidine-2,4-dione

C19H11F3N4O4 — CID 138605885

IUPAC6-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)[nH]c(=O)[nH]1
InChIInChI=1S/C19H11F3N4O4/c20-19(21,22)11-3-7-13(8-4-11)29-12-5-1-10(2-6-12)16-25-17(30-26-16)14-9-15(27)24-18(28)23-14/h1-9H,(H2,23,24,27,28)
InChIKeyKJRAINNLZZZPQB-UHFFFAOYSA-N
MW416.32 g/mol
LogP3.59
Rot. Bonds4

About 6-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidine-2,4-dione

6-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidine-2,4-dione (PubChem CID 138605885) has the molecular formula C19H11F3N4O4 and a molecular weight of 416.32 g/mol. Its IUPAC name is 6-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidine-2,4-dione
PubChem CID138605885
Molecular FormulaC19H11F3N4O4
Molecular Weight416.32 g/mol
Exact Mass416.07
IUPAC Name6-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)[nH]c(=O)[nH]1
InChIInChI=1S/C19H11F3N4O4/c20-19(21,22)11-3-7-13(8-4-11)29-12-5-1-10(2-6-12)16-25-17(30-26-16)14-9-15(27)24-18(28)23-14/h1-9H,(H2,23,24,27,28)
InChIKeyKJRAINNLZZZPQB-UHFFFAOYSA-N
XLogP3.59
TPSA113.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidine-2,4-dione (CID 138605885) is 6-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidine-2,4-dione is O=c1cc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is KJRAINNLZZZPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N4O4/c20-19(21,22)11-3-7-13(8-4-11)29-12-5-1-10(2-6-12)16-25-17(30-26-16)14-9-15(27)24-18(28)23-14/h1-9H,(H2,23,24,27,28).
What are the key properties of 6-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidine-2,4-dione?
6-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 416.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 138605885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).