N-[2-[4-[3-(2,2-difluoro-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide

C22H19F2N5O5 — CID 153308137

IUPACN-[2-[4-[3-(2,2-difluoro-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(c2nc(-c3ccc4c(n3)OC(F)(F)O4)no2)CC1)c1ccccc1
InChIInChI=1S/C22H19F2N5O5/c23-22(24)32-16-7-6-15(26-21(16)33-22)18-27-20(34-28-18)14-8-10-29(11-9-14)17(30)12-25-19(31)13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,25,31)
InChIKeyYFRLDQNGSOWBLC-UHFFFAOYSA-N
MW471.42 g/mol
LogP2.59
Rot. Bonds5

About N-[2-[4-[3-(2,2-difluoro-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide

N-[2-[4-[3-(2,2-difluoro-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 153308137) has the molecular formula C22H19F2N5O5 and a molecular weight of 471.42 g/mol. Its IUPAC name is N-[2-[4-[3-(2,2-difluoro-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-[3-(2,2-difluoro-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID153308137
Molecular FormulaC22H19F2N5O5
Molecular Weight471.42 g/mol
Exact Mass471.14
IUPAC NameN-[2-[4-[3-(2,2-difluoro-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(c2nc(-c3ccc4c(n3)OC(F)(F)O4)no2)CC1)c1ccccc1
InChIInChI=1S/C22H19F2N5O5/c23-22(24)32-16-7-6-15(26-21(16)33-22)18-27-20(34-28-18)14-8-10-29(11-9-14)17(30)12-25-19(31)13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,25,31)
InChIKeyYFRLDQNGSOWBLC-UHFFFAOYSA-N
XLogP2.59
TPSA119.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[4-[3-(2,2-difluoro-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide with MolForge

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Related Compounds

(2,6-Dimethyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 58270748
(2,6-Dimethyl-3-pyridinyl) 4-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 58270766
(2,6-Dimethyl-3-pyridinyl) 4-[5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 58270781
(2,6-Dimethyl-3-pyridinyl) 4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 58270815
(2,6-Dimethyl-3-pyridinyl) 4-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 58270862
(3aS,7S,7aR)-2,2-dimethyl-5-(5-phenyl-1,2,4-oxadiazol-3-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine
CID 171557716
2,2-dimethyl-5-(5-phenyl-1,2,4-oxadiazol-3-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine
CID 178007614
N-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 134478021
2-[2-[4-[3-(5-ethoxy-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-3H-isoindol-1-one
CID 134478023
2-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-3H-isoindol-1-one
CID 134478114
N-[2-[4-[3-(5-ethoxy-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 134478472
2-[2-[4-[3-(5-ethoxy-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]-3H-isoindol-1-one
CID 137425293

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-(2,2-difluoro-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[4-[3-(2,2-difluoro-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide (CID 153308137) is N-[2-[4-[3-(2,2-difluoro-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[4-[3-(2,2-difluoro-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[4-[3-(2,2-difluoro-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCC(c2nc(-c3ccc4c(n3)OC(F)(F)O4)no2)CC1)c1ccccc1.
What is the InChIKey of N-[2-[4-[3-(2,2-difluoro-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is YFRLDQNGSOWBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O5/c23-22(24)32-16-7-6-15(26-21(16)33-22)18-27-20(34-28-18)14-8-10-29(11-9-14)17(30)12-25-19(31)13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,25,31).
What are the key properties of N-[2-[4-[3-(2,2-difluoro-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide?
N-[2-[4-[3-(2,2-difluoro-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 471.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-(2,2-difluoro-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 153308137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).