2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]-2-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]acetamide

C20H18Cl2FN5O3 — CID 166002024

IUPAC2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]-2-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]acetamide
SMILESNC(=O)C(Oc1cnc(Cl)c(F)c1)C1CCN(c2nnc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C20H18Cl2FN5O3/c21-13-3-1-12(2-4-13)19-26-27-20(31-19)28-7-5-11(6-8-28)16(18(24)29)30-14-9-15(23)17(22)25-10-14/h1-4,9-11,16H,5-8H2,(H2,24,29)
InChIKeyDUERVKDHOOLWFT-UHFFFAOYSA-N
MW466.30 g/mol
LogP3.73
Rot. Bonds6

About 2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]-2-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]acetamide

2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]-2-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]acetamide (PubChem CID 166002024) has the molecular formula C20H18Cl2FN5O3 and a molecular weight of 466.30 g/mol. Its IUPAC name is 2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]-2-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]-2-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]acetamide
PubChem CID166002024
Molecular FormulaC20H18Cl2FN5O3
Molecular Weight466.30 g/mol
Exact Mass465.08
IUPAC Name2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]-2-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]acetamide
SMILESNC(=O)C(Oc1cnc(Cl)c(F)c1)C1CCN(c2nnc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C20H18Cl2FN5O3/c21-13-3-1-12(2-4-13)19-26-27-20(31-19)28-7-5-11(6-8-28)16(18(24)29)30-14-9-15(23)17(22)25-10-14/h1-4,9-11,16H,5-8H2,(H2,24,29)
InChIKeyDUERVKDHOOLWFT-UHFFFAOYSA-N
XLogP3.73
TPSA107.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.30
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]-2-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]-2-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]acetamide (CID 166002024) is 2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]-2-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]-2-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]-2-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]acetamide is NC(=O)C(Oc1cnc(Cl)c(F)c1)C1CCN(c2nnc(-c3ccc(Cl)cc3)o2)CC1.
What is the InChIKey of 2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]-2-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]acetamide?
The InChIKey is DUERVKDHOOLWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2FN5O3/c21-13-3-1-12(2-4-13)19-26-27-20(31-19)28-7-5-11(6-8-28)16(18(24)29)30-14-9-15(23)17(22)25-10-14/h1-4,9-11,16H,5-8H2,(H2,24,29).
What are the key properties of 2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]-2-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]acetamide?
2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]-2-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]acetamide has a molecular weight of 466.30 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]-2-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 166002024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).