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

C18H14F2N4O — CID 23647349

IUPAC5-(2,5-difluorophenyl)-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole
SMILESCC(C)c1nnc2ccc(-c3cnoc3-c3cc(F)ccc3F)cn12
InChIInChI=1S/C18H14F2N4O/c1-10(2)18-23-22-16-6-3-11(9-24(16)18)14-8-21-25-17(14)13-7-12(19)4-5-15(13)20/h3-10H,1-2H3
InChIKeyBMAFABSRVLXVFC-UHFFFAOYSA-N
MW340.33 g/mol
LogP4.45
Rot. Bonds3

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

5-(2,5-difluorophenyl)-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole (PubChem CID 23647349) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole
PubChem CID23647349
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC Name5-(2,5-difluorophenyl)-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole
SMILESCC(C)c1nnc2ccc(-c3cnoc3-c3cc(F)ccc3F)cn12
InChIInChI=1S/C18H14F2N4O/c1-10(2)18-23-22-16-6-3-11(9-24(16)18)14-8-21-25-17(14)13-7-12(19)4-5-15(13)20/h3-10H,1-2H3
InChIKeyBMAFABSRVLXVFC-UHFFFAOYSA-N
XLogP4.45
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole?
The IUPAC name of 5-(2,5-difluorophenyl)-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole (CID 23647349) is 5-(2,5-difluorophenyl)-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole.
What is the SMILES notation for 5-(2,5-difluorophenyl)-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole?
The canonical SMILES for 5-(2,5-difluorophenyl)-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole is CC(C)c1nnc2ccc(-c3cnoc3-c3cc(F)ccc3F)cn12.
What is the InChIKey of 5-(2,5-difluorophenyl)-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole?
The InChIKey is BMAFABSRVLXVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c1-10(2)18-23-22-16-6-3-11(9-24(16)18)14-8-21-25-17(14)13-7-12(19)4-5-15(13)20/h3-10H,1-2H3.
What are the key properties of 5-(2,5-difluorophenyl)-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole?
5-(2,5-difluorophenyl)-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole has a molecular weight of 340.33 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole is sourced from PubChem (CID 23647349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).