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

C20H12FN5O — CID 155811185

IUPAC2-(4-fluorophenyl)-5-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(-c3c(-c4ccccc4)nc4ncccn34)o2)cc1
InChIInChI=1S/C20H12FN5O/c21-15-9-7-14(8-10-15)18-24-25-19(27-18)17-16(13-5-2-1-3-6-13)23-20-22-11-4-12-26(17)20/h1-12H
InChIKeyRKFNGPBECJCPPJ-UHFFFAOYSA-N
MW357.35 g/mol
LogP4.25
Rot. Bonds3

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

2-(4-fluorophenyl)-5-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)-1,3,4-oxadiazole (PubChem CID 155811185) has the molecular formula C20H12FN5O and a molecular weight of 357.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)-1,3,4-oxadiazole
PubChem CID155811185
Molecular FormulaC20H12FN5O
Molecular Weight357.35 g/mol
Exact Mass357.10
IUPAC Name2-(4-fluorophenyl)-5-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(-c3c(-c4ccccc4)nc4ncccn34)o2)cc1
InChIInChI=1S/C20H12FN5O/c21-15-9-7-14(8-10-15)18-24-25-19(27-18)17-16(13-5-2-1-3-6-13)23-20-22-11-4-12-26(17)20/h1-12H
InChIKeyRKFNGPBECJCPPJ-UHFFFAOYSA-N
XLogP4.25
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 54.25
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-phenylimidazo[1,2-a]pyrimidin-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)-1,3,4-oxadiazole (CID 155811185) is 2-(4-fluorophenyl)-5-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)-1,3,4-oxadiazole is Fc1ccc(-c2nnc(-c3c(-c4ccccc4)nc4ncccn34)o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)-1,3,4-oxadiazole?
The InChIKey is RKFNGPBECJCPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN5O/c21-15-9-7-14(8-10-15)18-24-25-19(27-18)17-16(13-5-2-1-3-6-13)23-20-22-11-4-12-26(17)20/h1-12H.
What are the key properties of 2-(4-fluorophenyl)-5-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)-1,3,4-oxadiazole has a molecular weight of 357.35 g/mol, XLogP of 4.25, 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-phenylimidazo[1,2-a]pyrimidin-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 155811185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).