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

C22H16FN5O3 — CID 155806887

IUPAC2-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3c(-c4ccc(F)cc4)nc4ncccn34)o2)cc1OC
InChIInChI=1S/C22H16FN5O3/c1-29-16-9-6-14(12-17(16)30-2)20-26-27-21(31-20)19-18(13-4-7-15(23)8-5-13)25-22-24-10-3-11-28(19)22/h3-12H,1-2H3
InChIKeyKFKUEMASHQFANY-UHFFFAOYSA-N
MW417.40 g/mol
LogP4.27
Rot. Bonds5

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

2-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole (PubChem CID 155806887) has the molecular formula C22H16FN5O3 and a molecular weight of 417.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole
PubChem CID155806887
Molecular FormulaC22H16FN5O3
Molecular Weight417.40 g/mol
Exact Mass417.12
IUPAC Name2-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3c(-c4ccc(F)cc4)nc4ncccn34)o2)cc1OC
InChIInChI=1S/C22H16FN5O3/c1-29-16-9-6-14(12-17(16)30-2)20-26-27-21(31-20)19-18(13-4-7-15(23)8-5-13)25-22-24-10-3-11-28(19)22/h3-12H,1-2H3
InChIKeyKFKUEMASHQFANY-UHFFFAOYSA-N
XLogP4.27
TPSA87.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole (CID 155806887) is 2-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3c(-c4ccc(F)cc4)nc4ncccn34)o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is KFKUEMASHQFANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O3/c1-29-16-9-6-14(12-17(16)30-2)20-26-27-21(31-20)19-18(13-4-7-15(23)8-5-13)25-22-24-10-3-11-28(19)22/h3-12H,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole?
2-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 417.40 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 155806887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).