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

C22H13ClF2N4O — CID 15986473

IUPAC3-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole
SMILESFc1cccc(-c2nc3ccn(Cc4cc(-c5ccc(Cl)cc5)no4)cc-3n2)c1F
InChIInChI=1S/C22H13ClF2N4O/c23-14-6-4-13(5-7-14)19-10-15(30-28-19)11-29-9-8-18-20(12-29)27-22(26-18)16-2-1-3-17(24)21(16)25/h1-10,12H,11H2
InChIKeyNHBDOFACNWSCQU-UHFFFAOYSA-N
MW422.82 g/mol
LogP5.68
Rot. Bonds4

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

3-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole (PubChem CID 15986473) has the molecular formula C22H13ClF2N4O and a molecular weight of 422.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole
PubChem CID15986473
Molecular FormulaC22H13ClF2N4O
Molecular Weight422.82 g/mol
Exact Mass422.07
IUPAC Name3-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole
SMILESFc1cccc(-c2nc3ccn(Cc4cc(-c5ccc(Cl)cc5)no4)cc-3n2)c1F
InChIInChI=1S/C22H13ClF2N4O/c23-14-6-4-13(5-7-14)19-10-15(30-28-19)11-29-9-8-18-20(12-29)27-22(26-18)16-2-1-3-17(24)21(16)25/h1-10,12H,11H2
InChIKeyNHBDOFACNWSCQU-UHFFFAOYSA-N
XLogP5.68
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.82
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole (CID 15986473) is 3-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole is Fc1cccc(-c2nc3ccn(Cc4cc(-c5ccc(Cl)cc5)no4)cc-3n2)c1F.
What is the InChIKey of 3-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole?
The InChIKey is NHBDOFACNWSCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF2N4O/c23-14-6-4-13(5-7-14)19-10-15(30-28-19)11-29-9-8-18-20(12-29)27-22(26-18)16-2-1-3-17(24)21(16)25/h1-10,12H,11H2.
What are the key properties of 3-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole?
3-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole has a molecular weight of 422.82 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 15986473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).