2-tert-butyl-5-[3-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-1,3,4-oxadiazole

C19H20F2N4O — CID 58054273

IUPAC2-tert-butyl-5-[3-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(-c2nc(-c3ccc(F)c(F)c3)n3c2CCCC3)o1
InChIInChI=1S/C19H20F2N4O/c1-19(2,3)18-24-23-17(26-18)15-14-6-4-5-9-25(14)16(22-15)11-7-8-12(20)13(21)10-11/h7-8,10H,4-6,9H2,1-3H3
InChIKeyFXIBFJIZWGGOKF-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.51
Rot. Bonds2

About 2-tert-butyl-5-[3-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-1,3,4-oxadiazole

2-tert-butyl-5-[3-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-1,3,4-oxadiazole (PubChem CID 58054273) has the molecular formula C19H20F2N4O and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-tert-butyl-5-[3-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-[3-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-1,3,4-oxadiazole
PubChem CID58054273
Molecular FormulaC19H20F2N4O
Molecular Weight358.39 g/mol
Exact Mass358.16
IUPAC Name2-tert-butyl-5-[3-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(-c2nc(-c3ccc(F)c(F)c3)n3c2CCCC3)o1
InChIInChI=1S/C19H20F2N4O/c1-19(2,3)18-24-23-17(26-18)15-14-6-4-5-9-25(14)16(22-15)11-7-8-12(20)13(21)10-11/h7-8,10H,4-6,9H2,1-3H3
InChIKeyFXIBFJIZWGGOKF-UHFFFAOYSA-N
XLogP4.51
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[3-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-[3-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-1,3,4-oxadiazole (CID 58054273) is 2-tert-butyl-5-[3-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-[3-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-[3-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-1,3,4-oxadiazole is CC(C)(C)c1nnc(-c2nc(-c3ccc(F)c(F)c3)n3c2CCCC3)o1.
What is the InChIKey of 2-tert-butyl-5-[3-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-1,3,4-oxadiazole?
The InChIKey is FXIBFJIZWGGOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O/c1-19(2,3)18-24-23-17(26-18)15-14-6-4-5-9-25(14)16(22-15)11-7-8-12(20)13(21)10-11/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 2-tert-butyl-5-[3-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-1,3,4-oxadiazole?
2-tert-butyl-5-[3-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-1,3,4-oxadiazole has a molecular weight of 358.39 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[3-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 58054273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).