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

C16H13Cl2N5O5 — CID 146402725

IUPACN-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)n[nH]c1=O
InChIInChI=1S/C16H13Cl2N5O5/c1-6(2)8-5-11(21-22-14(8)24)27-12-9(17)3-7(4-10(12)18)19-15(25)13-20-16(26)28-23-13/h3-6H,1-2H3,(H,19,25)(H,22,24)(H,20,23,26)
InChIKeyOVSXVZNNBYVZNF-UHFFFAOYSA-N
MW426.22 g/mol
LogP2.92
Rot. Bonds5

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

N-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (PubChem CID 146402725) has the molecular formula C16H13Cl2N5O5 and a molecular weight of 426.22 g/mol. Its IUPAC name is N-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
PubChem CID146402725
Molecular FormulaC16H13Cl2N5O5
Molecular Weight426.22 g/mol
Exact Mass425.03
IUPAC NameN-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)n[nH]c1=O
InChIInChI=1S/C16H13Cl2N5O5/c1-6(2)8-5-11(21-22-14(8)24)27-12-9(17)3-7(4-10(12)18)19-15(25)13-20-16(26)28-23-13/h3-6H,1-2H3,(H,19,25)(H,22,24)(H,20,23,26)
InChIKeyOVSXVZNNBYVZNF-UHFFFAOYSA-N
XLogP2.92
TPSA142.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.22
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide (CID 146402725) is N-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-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-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is CC(C)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-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is OVSXVZNNBYVZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O5/c1-6(2)8-5-11(21-22-14(8)24)27-12-9(17)3-7(4-10(12)18)19-15(25)13-20-16(26)28-23-13/h3-6H,1-2H3,(H,19,25)(H,22,24)(H,20,23,26).
What are the key properties of N-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide?
N-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 426.22 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 146402725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).