6-[3-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H10F3N5O3S — CID 167943582

IUPAC6-[3-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(-c2nc(-c3ncoc3-c3cccc(C(F)(F)F)c3)no2)cnc2n1CCS2
InChIInChI=1S/C18H10F3N5O3S/c19-18(20,21)10-3-1-2-9(6-10)13-12(23-8-28-13)14-24-15(29-25-14)11-7-22-17-26(16(11)27)4-5-30-17/h1-3,6-8H,4-5H2
InChIKeyNRAZTEUTPGPZTD-UHFFFAOYSA-N
MW433.37 g/mol
LogP3.74
Rot. Bonds3

About 6-[3-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[3-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 167943582) has the molecular formula C18H10F3N5O3S and a molecular weight of 433.37 g/mol. Its IUPAC name is 6-[3-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[3-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID167943582
Molecular FormulaC18H10F3N5O3S
Molecular Weight433.37 g/mol
Exact Mass433.05
IUPAC Name6-[3-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(-c2nc(-c3ncoc3-c3cccc(C(F)(F)F)c3)no2)cnc2n1CCS2
InChIInChI=1S/C18H10F3N5O3S/c19-18(20,21)10-3-1-2-9(6-10)13-12(23-8-28-13)14-24-15(29-25-14)11-7-22-17-26(16(11)27)4-5-30-17/h1-3,6-8H,4-5H2
InChIKeyNRAZTEUTPGPZTD-UHFFFAOYSA-N
XLogP3.74
TPSA99.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[3-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[3-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 167943582) is 6-[3-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[3-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[3-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1c(-c2nc(-c3ncoc3-c3cccc(C(F)(F)F)c3)no2)cnc2n1CCS2.
What is the InChIKey of 6-[3-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is NRAZTEUTPGPZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N5O3S/c19-18(20,21)10-3-1-2-9(6-10)13-12(23-8-28-13)14-24-15(29-25-14)11-7-22-17-26(16(11)27)4-5-30-17/h1-3,6-8H,4-5H2.
What are the key properties of 6-[3-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[3-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 433.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 167943582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).