6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole

C21H15F2N5O — CID 24953204

IUPAC6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole
SMILESCC1(c2nnc3ccc(-c4c(-c5ccc(F)cc5F)nc5occn45)cn23)CC1
InChIInChI=1S/C21H15F2N5O/c1-21(6-7-21)19-26-25-16-5-2-12(11-28(16)19)18-17(24-20-27(18)8-9-29-20)14-4-3-13(22)10-15(14)23/h2-5,8-11H,6-7H2,1H3
InChIKeyJIZUUFZFUQMTPF-UHFFFAOYSA-N
MW391.38 g/mol
LogP4.63
Rot. Bonds3

About 6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole

6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole (PubChem CID 24953204) has the molecular formula C21H15F2N5O and a molecular weight of 391.38 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole
PubChem CID24953204
Molecular FormulaC21H15F2N5O
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC Name6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole
SMILESCC1(c2nnc3ccc(-c4c(-c5ccc(F)cc5F)nc5occn45)cn23)CC1
InChIInChI=1S/C21H15F2N5O/c1-21(6-7-21)19-26-25-16-5-2-12(11-28(16)19)18-17(24-20-27(18)8-9-29-20)14-4-3-13(22)10-15(14)23/h2-5,8-11H,6-7H2,1H3
InChIKeyJIZUUFZFUQMTPF-UHFFFAOYSA-N
XLogP4.63
TPSA60.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole (CID 24953204) is 6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole is CC1(c2nnc3ccc(-c4c(-c5ccc(F)cc5F)nc5occn45)cn23)CC1.
What is the InChIKey of 6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole?
The InChIKey is JIZUUFZFUQMTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N5O/c1-21(6-7-21)19-26-25-16-5-2-12(11-28(16)19)18-17(24-20-27(18)8-9-29-20)14-4-3-13(22)10-15(14)23/h2-5,8-11H,6-7H2,1H3.
What are the key properties of 6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole?
6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole has a molecular weight of 391.38 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 24953204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).