3-(4-bromo-2-fluorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole

C22H13BrF2N4O — CID 59130798

IUPAC3-(4-bromo-2-fluorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole
SMILESFc1cc(Br)ccc1-c1cc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)on1
InChIInChI=1S/C22H13BrF2N4O/c23-13-5-6-15(18(25)9-13)20-10-14(30-28-20)11-29-8-7-19-21(12-29)27-22(26-19)16-3-1-2-4-17(16)24/h1-10,12H,11H2
InChIKeyFQENPXMGHXVBCF-UHFFFAOYSA-N
MW467.27 g/mol
LogP5.79
Rot. Bonds4

About 3-(4-bromo-2-fluorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole

3-(4-bromo-2-fluorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole (PubChem CID 59130798) has the molecular formula C22H13BrF2N4O and a molecular weight of 467.27 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole
PubChem CID59130798
Molecular FormulaC22H13BrF2N4O
Molecular Weight467.27 g/mol
Exact Mass466.02
IUPAC Name3-(4-bromo-2-fluorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole
SMILESFc1cc(Br)ccc1-c1cc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)on1
InChIInChI=1S/C22H13BrF2N4O/c23-13-5-6-15(18(25)9-13)20-10-14(30-28-20)11-29-8-7-19-21(12-29)27-22(26-19)16-3-1-2-4-17(16)24/h1-10,12H,11H2
InChIKeyFQENPXMGHXVBCF-UHFFFAOYSA-N
XLogP5.79
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.27
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole (CID 59130798) is 3-(4-bromo-2-fluorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole is Fc1cc(Br)ccc1-c1cc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)on1.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole?
The InChIKey is FQENPXMGHXVBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrF2N4O/c23-13-5-6-15(18(25)9-13)20-10-14(30-28-20)11-29-8-7-19-21(12-29)27-22(26-19)16-3-1-2-4-17(16)24/h1-10,12H,11H2.
What are the key properties of 3-(4-bromo-2-fluorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole?
3-(4-bromo-2-fluorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole has a molecular weight of 467.27 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 59130798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).