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

C16H10F2N4O — CID 23433767

IUPAC5-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-phenyl-1,3-oxazole
SMILESFC(F)c1nnc2ccc(-c3ocnc3-c3ccccc3)cn12
InChIInChI=1S/C16H10F2N4O/c17-15(18)16-21-20-12-7-6-11(8-22(12)16)14-13(19-9-23-14)10-4-2-1-3-5-10/h1-9,15H
InChIKeyGIRBCCRJPRLVEE-UHFFFAOYSA-N
MW312.28 g/mol
LogP3.99
Rot. Bonds3

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

5-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-phenyl-1,3-oxazole (PubChem CID 23433767) has the molecular formula C16H10F2N4O and a molecular weight of 312.28 g/mol. Its IUPAC name is 5-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-phenyl-1,3-oxazole
PubChem CID23433767
Molecular FormulaC16H10F2N4O
Molecular Weight312.28 g/mol
Exact Mass312.08
IUPAC Name5-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-phenyl-1,3-oxazole
SMILESFC(F)c1nnc2ccc(-c3ocnc3-c3ccccc3)cn12
InChIInChI=1S/C16H10F2N4O/c17-15(18)16-21-20-12-7-6-11(8-22(12)16)14-13(19-9-23-14)10-4-2-1-3-5-10/h1-9,15H
InChIKeyGIRBCCRJPRLVEE-UHFFFAOYSA-N
XLogP3.99
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-phenyl-1,3-oxazole?
The IUPAC name of 5-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-phenyl-1,3-oxazole (CID 23433767) is 5-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-phenyl-1,3-oxazole.
What is the SMILES notation for 5-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-phenyl-1,3-oxazole?
The canonical SMILES for 5-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-phenyl-1,3-oxazole is FC(F)c1nnc2ccc(-c3ocnc3-c3ccccc3)cn12.
What is the InChIKey of 5-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-phenyl-1,3-oxazole?
The InChIKey is GIRBCCRJPRLVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N4O/c17-15(18)16-21-20-12-7-6-11(8-22(12)16)14-13(19-9-23-14)10-4-2-1-3-5-10/h1-9,15H.
What are the key properties of 5-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-phenyl-1,3-oxazole?
5-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-phenyl-1,3-oxazole has a molecular weight of 312.28 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-phenyl-1,3-oxazole is sourced from PubChem (CID 23433767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).