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

C19H16F2N4O — CID 10316101

IUPAC5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole
SMILESCC(C)(C)c1nnc2ccc(-c3ocnc3-c3cc(F)ccc3F)cn12
InChIInChI=1S/C19H16F2N4O/c1-19(2,3)18-24-23-15-7-4-11(9-25(15)18)17-16(22-10-26-17)13-8-12(20)5-6-14(13)21/h4-10H,1-3H3
InChIKeyAPLXMOMMUKPMLH-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.63
Rot. Bonds2

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

5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole (PubChem CID 10316101) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is 5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole
PubChem CID10316101
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole
SMILESCC(C)(C)c1nnc2ccc(-c3ocnc3-c3cc(F)ccc3F)cn12
InChIInChI=1S/C19H16F2N4O/c1-19(2,3)18-24-23-15-7-4-11(9-25(15)18)17-16(22-10-26-17)13-8-12(20)5-6-14(13)21/h4-10H,1-3H3
InChIKeyAPLXMOMMUKPMLH-UHFFFAOYSA-N
XLogP4.63
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole?
The IUPAC name of 5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole (CID 10316101) is 5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole.
What is the SMILES notation for 5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole?
The canonical SMILES for 5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole is CC(C)(C)c1nnc2ccc(-c3ocnc3-c3cc(F)ccc3F)cn12.
What is the InChIKey of 5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole?
The InChIKey is APLXMOMMUKPMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-19(2,3)18-24-23-15-7-4-11(9-25(15)18)17-16(22-10-26-17)13-8-12(20)5-6-14(13)21/h4-10H,1-3H3.
What are the key properties of 5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole?
5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole has a molecular weight of 354.36 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,5-difluorophenyl)-1,3-oxazole is sourced from PubChem (CID 10316101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).