N-(2,4-difluorophenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide

C17H18F2N4O2 — CID 6623913

IUPACN-(2,4-difluorophenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCN1CC=C(c2noc(CCC(=O)Nc3ccc(F)cc3F)n2)CC1
InChIInChI=1S/C17H18F2N4O2/c1-23-8-6-11(7-9-23)17-21-16(25-22-17)5-4-15(24)20-14-3-2-12(18)10-13(14)19/h2-3,6,10H,4-5,7-9H2,1H3,(H,20,24)
InChIKeyOWUBEIIJLMVWME-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.64
Rot. Bonds5

About N-(2,4-difluorophenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide

N-(2,4-difluorophenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 6623913) has the molecular formula C17H18F2N4O2 and a molecular weight of 348.35 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID6623913
Molecular FormulaC17H18F2N4O2
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC NameN-(2,4-difluorophenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCN1CC=C(c2noc(CCC(=O)Nc3ccc(F)cc3F)n2)CC1
InChIInChI=1S/C17H18F2N4O2/c1-23-8-6-11(7-9-23)17-21-16(25-22-17)5-4-15(24)20-14-3-2-12(18)10-13(14)19/h2-3,6,10H,4-5,7-9H2,1H3,(H,20,24)
InChIKeyOWUBEIIJLMVWME-UHFFFAOYSA-N
XLogP2.64
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide (CID 6623913) is N-(2,4-difluorophenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide is CN1CC=C(c2noc(CCC(=O)Nc3ccc(F)cc3F)n2)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is OWUBEIIJLMVWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2/c1-23-8-6-11(7-9-23)17-21-16(25-22-17)5-4-15(24)20-14-3-2-12(18)10-13(14)19/h2-3,6,10H,4-5,7-9H2,1H3,(H,20,24).
What are the key properties of N-(2,4-difluorophenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(2,4-difluorophenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 348.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 6623913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).