N-[3,5-dichloro-4-[[5-(1-hydroxyethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide

C15H11Cl2N5O6 — CID 146402620

IUPACN-[3,5-dichloro-4-[[5-(1-hydroxyethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCC(O)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)n[nH]c1=O
InChIInChI=1S/C15H11Cl2N5O6/c1-5(23)7-4-10(20-21-13(7)24)27-11-8(16)2-6(3-9(11)17)18-14(25)12-19-15(26)28-22-12/h2-5,23H,1H3,(H,18,25)(H,21,24)(H,19,22,26)
InChIKeyZAVZGJSCNDJOBN-UHFFFAOYSA-N
MW428.19 g/mol
LogP1.85
Rot. Bonds5

About N-[3,5-dichloro-4-[[5-(1-hydroxyethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide

N-[3,5-dichloro-4-[[5-(1-hydroxyethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (PubChem CID 146402620) has the molecular formula C15H11Cl2N5O6 and a molecular weight of 428.19 g/mol. Its IUPAC name is N-[3,5-dichloro-4-[[5-(1-hydroxyethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-[[5-(1-hydroxyethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
PubChem CID146402620
Molecular FormulaC15H11Cl2N5O6
Molecular Weight428.19 g/mol
Exact Mass427.01
IUPAC NameN-[3,5-dichloro-4-[[5-(1-hydroxyethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCC(O)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)n[nH]c1=O
InChIInChI=1S/C15H11Cl2N5O6/c1-5(23)7-4-10(20-21-13(7)24)27-11-8(16)2-6(3-9(11)17)18-14(25)12-19-15(26)28-22-12/h2-5,23H,1H3,(H,18,25)(H,21,24)(H,19,22,26)
InChIKeyZAVZGJSCNDJOBN-UHFFFAOYSA-N
XLogP1.85
TPSA163.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.19
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-[[5-(1-hydroxyethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[3,5-dichloro-4-[[5-(1-hydroxyethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (CID 146402620) is N-[3,5-dichloro-4-[[5-(1-hydroxyethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[3,5-dichloro-4-[[5-(1-hydroxyethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[3,5-dichloro-4-[[5-(1-hydroxyethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is CC(O)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)n[nH]c1=O.
What is the InChIKey of N-[3,5-dichloro-4-[[5-(1-hydroxyethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is ZAVZGJSCNDJOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5O6/c1-5(23)7-4-10(20-21-13(7)24)27-11-8(16)2-6(3-9(11)17)18-14(25)12-19-15(26)28-22-12/h2-5,23H,1H3,(H,18,25)(H,21,24)(H,19,22,26).
What are the key properties of N-[3,5-dichloro-4-[[5-(1-hydroxyethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
N-[3,5-dichloro-4-[[5-(1-hydroxyethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 428.19 g/mol, XLogP of 1.85, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-[[5-(1-hydroxyethyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 146402620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).