4-(6-ethoxypyridazin-3-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide

C18H19N5O4 — CID 122572326

IUPAC4-(6-ethoxypyridazin-3-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
SMILESCCOc1ccc(-c2ccc(C(=O)NCCc3noc(CO)n3)cc2)nn1
InChIInChI=1S/C18H19N5O4/c1-2-26-16-8-7-14(21-22-16)12-3-5-13(6-4-12)18(25)19-10-9-15-20-17(11-24)27-23-15/h3-8,24H,2,9-11H2,1H3,(H,19,25)
InChIKeyTYAMXQHEWCLGQK-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.39
Rot. Bonds8

About 4-(6-ethoxypyridazin-3-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide

4-(6-ethoxypyridazin-3-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide (PubChem CID 122572326) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 4-(6-ethoxypyridazin-3-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-(6-ethoxypyridazin-3-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
PubChem CID122572326
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name4-(6-ethoxypyridazin-3-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
SMILESCCOc1ccc(-c2ccc(C(=O)NCCc3noc(CO)n3)cc2)nn1
InChIInChI=1S/C18H19N5O4/c1-2-26-16-8-7-14(21-22-16)12-3-5-13(6-4-12)18(25)19-10-9-15-20-17(11-24)27-23-15/h3-8,24H,2,9-11H2,1H3,(H,19,25)
InChIKeyTYAMXQHEWCLGQK-UHFFFAOYSA-N
XLogP1.39
TPSA123.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethoxypyridazin-3-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The IUPAC name of 4-(6-ethoxypyridazin-3-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide (CID 122572326) is 4-(6-ethoxypyridazin-3-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide.
What is the SMILES notation for 4-(6-ethoxypyridazin-3-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The canonical SMILES for 4-(6-ethoxypyridazin-3-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide is CCOc1ccc(-c2ccc(C(=O)NCCc3noc(CO)n3)cc2)nn1.
What is the InChIKey of 4-(6-ethoxypyridazin-3-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The InChIKey is TYAMXQHEWCLGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-2-26-16-8-7-14(21-22-16)12-3-5-13(6-4-12)18(25)19-10-9-15-20-17(11-24)27-23-15/h3-8,24H,2,9-11H2,1H3,(H,19,25).
What are the key properties of 4-(6-ethoxypyridazin-3-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
4-(6-ethoxypyridazin-3-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide has a molecular weight of 369.38 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethoxypyridazin-3-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide is sourced from PubChem (CID 122572326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).