N-[4-[(5-tert-butyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide

C17H15Cl2N5O5 — CID 146402702

IUPACN-[4-[(5-tert-butyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)(C)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)n[nH]c1=O
InChIInChI=1S/C17H15Cl2N5O5/c1-17(2,3)8-6-11(22-23-14(8)25)28-12-9(18)4-7(5-10(12)19)20-15(26)13-21-16(27)29-24-13/h4-6H,1-3H3,(H,20,26)(H,23,25)(H,21,24,27)
InChIKeyVYSXTPWRHFACHR-UHFFFAOYSA-N
MW440.24 g/mol
LogP3.10
Rot. Bonds4

About N-[4-[(5-tert-butyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide

N-[4-[(5-tert-butyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (PubChem CID 146402702) has the molecular formula C17H15Cl2N5O5 and a molecular weight of 440.24 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
PubChem CID146402702
Molecular FormulaC17H15Cl2N5O5
Molecular Weight440.24 g/mol
Exact Mass439.05
IUPAC NameN-[4-[(5-tert-butyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)(C)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)n[nH]c1=O
InChIInChI=1S/C17H15Cl2N5O5/c1-17(2,3)8-6-11(22-23-14(8)25)28-12-9(18)4-7(5-10(12)19)20-15(26)13-21-16(27)29-24-13/h4-6H,1-3H3,(H,20,26)(H,23,25)(H,21,24,27)
InChIKeyVYSXTPWRHFACHR-UHFFFAOYSA-N
XLogP3.10
TPSA142.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.24
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[4-[(5-tert-butyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (CID 146402702) is N-[4-[(5-tert-butyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[4-[(5-tert-butyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is CC(C)(C)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)n[nH]c1=O.
What is the InChIKey of N-[4-[(5-tert-butyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is VYSXTPWRHFACHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O5/c1-17(2,3)8-6-11(22-23-14(8)25)28-12-9(18)4-7(5-10(12)19)20-15(26)13-21-16(27)29-24-13/h4-6H,1-3H3,(H,20,26)(H,23,25)(H,21,24,27).
What are the key properties of N-[4-[(5-tert-butyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
N-[4-[(5-tert-butyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 440.24 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-tert-butyl-6-oxo-1H-pyridazin-3-yl)oxy]-3,5-dichlorophenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 146402702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).