5-(6-pyrimidin-5-yl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C18H10F3N5O — CID 56888384

IUPAC5-(6-pyrimidin-5-yl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2noc(-c3ccc(-c4cncnc4)nc3)n2)c1
InChIInChI=1S/C18H10F3N5O/c19-18(20,21)14-3-1-2-11(6-14)16-25-17(27-26-16)12-4-5-15(24-9-12)13-7-22-10-23-8-13/h1-10H
InChIKeyJWCSVIFEIHITKX-UHFFFAOYSA-N
MW369.31 g/mol
LogP4.27
Rot. Bonds3

About 5-(6-pyrimidin-5-yl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

5-(6-pyrimidin-5-yl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 56888384) has the molecular formula C18H10F3N5O and a molecular weight of 369.31 g/mol. Its IUPAC name is 5-(6-pyrimidin-5-yl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(6-pyrimidin-5-yl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID56888384
Molecular FormulaC18H10F3N5O
Molecular Weight369.31 g/mol
Exact Mass369.08
IUPAC Name5-(6-pyrimidin-5-yl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2noc(-c3ccc(-c4cncnc4)nc3)n2)c1
InChIInChI=1S/C18H10F3N5O/c19-18(20,21)14-3-1-2-11(6-14)16-25-17(27-26-16)12-4-5-15(24-9-12)13-7-22-10-23-8-13/h1-10H
InChIKeyJWCSVIFEIHITKX-UHFFFAOYSA-N
XLogP4.27
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 5191480
3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19324593
1-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]azetidin-3-ol
CID 70740569
(2R)-2-[[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanamide
CID 70707331
3-(6-ethylsulfanyl-3-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2740804
5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 25110321
5-(5-thiophen-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 3590717
(1S)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 66264287
5-[3-methyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2740227
(2R)-4-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]morpholine-2-carboxamide
CID 95873563
3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 12569663
5-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 1472030

Frequently Asked Questions

What is the IUPAC name of 5-(6-pyrimidin-5-yl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(6-pyrimidin-5-yl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 56888384) is 5-(6-pyrimidin-5-yl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(6-pyrimidin-5-yl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(6-pyrimidin-5-yl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1cccc(-c2noc(-c3ccc(-c4cncnc4)nc3)n2)c1.
What is the InChIKey of 5-(6-pyrimidin-5-yl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is JWCSVIFEIHITKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N5O/c19-18(20,21)14-3-1-2-11(6-14)16-25-17(27-26-16)12-4-5-15(24-9-12)13-7-22-10-23-8-13/h1-10H.
What are the key properties of 5-(6-pyrimidin-5-yl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-(6-pyrimidin-5-yl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 369.31 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-pyrimidin-5-yl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56888384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).