2-(2-chloro-6-fluorophenyl)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

C18H16ClFN4O3 — CID 91819352

IUPAC2-(2-chloro-6-fluorophenyl)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCCOc1ccc(-c2noc(CNC(=O)Cc3c(F)cccc3Cl)n2)cn1
InChIInChI=1S/C18H16ClFN4O3/c1-2-26-16-7-6-11(9-22-16)18-23-17(27-24-18)10-21-15(25)8-12-13(19)4-3-5-14(12)20/h3-7,9H,2,8,10H2,1H3,(H,21,25)
InChIKeyKTUJREDFZPDAOD-UHFFFAOYSA-N
MW390.80 g/mol
LogP3.18
Rot. Bonds7

About 2-(2-chloro-6-fluorophenyl)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 91819352) has the molecular formula C18H16ClFN4O3 and a molecular weight of 390.80 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID91819352
Molecular FormulaC18H16ClFN4O3
Molecular Weight390.80 g/mol
Exact Mass390.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCCOc1ccc(-c2noc(CNC(=O)Cc3c(F)cccc3Cl)n2)cn1
InChIInChI=1S/C18H16ClFN4O3/c1-2-26-16-7-6-11(9-22-16)18-23-17(27-24-18)10-21-15(25)8-12-13(19)4-3-5-14(12)20/h3-7,9H,2,8,10H2,1H3,(H,21,25)
InChIKeyKTUJREDFZPDAOD-UHFFFAOYSA-N
XLogP3.18
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.80
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 91819352) is 2-(2-chloro-6-fluorophenyl)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is CCOc1ccc(-c2noc(CNC(=O)Cc3c(F)cccc3Cl)n2)cn1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is KTUJREDFZPDAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O3/c1-2-26-16-7-6-11(9-22-16)18-23-17(27-24-18)10-21-15(25)8-12-13(19)4-3-5-14(12)20/h3-7,9H,2,8,10H2,1H3,(H,21,25).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 390.80 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 91819352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).