2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole

C20H11F2N5O — CID 155806885

IUPAC2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(-c3c(-c4ccc(F)cc4)nc4ncccn34)o2)cc1
InChIInChI=1S/C20H11F2N5O/c21-14-6-2-12(3-7-14)16-17(27-11-1-10-23-20(27)24-16)19-26-25-18(28-19)13-4-8-15(22)9-5-13/h1-11H
InChIKeyUUJNPUGXQCLNNW-UHFFFAOYSA-N
MW375.34 g/mol
LogP4.39
Rot. Bonds3

About 2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole

2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole (PubChem CID 155806885) has the molecular formula C20H11F2N5O and a molecular weight of 375.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole
PubChem CID155806885
Molecular FormulaC20H11F2N5O
Molecular Weight375.34 g/mol
Exact Mass375.09
IUPAC Name2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(-c3c(-c4ccc(F)cc4)nc4ncccn34)o2)cc1
InChIInChI=1S/C20H11F2N5O/c21-14-6-2-12(3-7-14)16-17(27-11-1-10-23-20(27)24-16)19-26-25-18(28-19)13-4-8-15(22)9-5-13/h1-11H
InChIKeyUUJNPUGXQCLNNW-UHFFFAOYSA-N
XLogP4.39
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole (CID 155806885) is 2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole is Fc1ccc(-c2nnc(-c3c(-c4ccc(F)cc4)nc4ncccn34)o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is UUJNPUGXQCLNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F2N5O/c21-14-6-2-12(3-7-14)16-17(27-11-1-10-23-20(27)24-16)19-26-25-18(28-19)13-4-8-15(22)9-5-13/h1-11H.
What are the key properties of 2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 375.34 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 155806885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).