3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]anilino]methyl]-4H-1,2,4-oxadiazol-5-one

C16H15Cl2N5O4 — CID 146402661

IUPAC3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]anilino]methyl]-4H-1,2,4-oxadiazol-5-one
SMILESCC(C)c1cc(Oc2c(Cl)cc(NCc3noc(=O)[nH]3)cc2Cl)n[nH]c1=O
InChIInChI=1S/C16H15Cl2N5O4/c1-7(2)9-5-13(21-22-15(9)24)26-14-10(17)3-8(4-11(14)18)19-6-12-20-16(25)27-23-12/h3-5,7,19H,6H2,1-2H3,(H,22,24)(H,20,23,25)
InChIKeyPKZQKRHFNDZRHB-UHFFFAOYSA-N
MW412.23 g/mol
LogP3.28
Rot. Bonds6

About 3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]anilino]methyl]-4H-1,2,4-oxadiazol-5-one

3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]anilino]methyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 146402661) has the molecular formula C16H15Cl2N5O4 and a molecular weight of 412.23 g/mol. Its IUPAC name is 3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]anilino]methyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]anilino]methyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID146402661
Molecular FormulaC16H15Cl2N5O4
Molecular Weight412.23 g/mol
Exact Mass411.05
IUPAC Name3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]anilino]methyl]-4H-1,2,4-oxadiazol-5-one
SMILESCC(C)c1cc(Oc2c(Cl)cc(NCc3noc(=O)[nH]3)cc2Cl)n[nH]c1=O
InChIInChI=1S/C16H15Cl2N5O4/c1-7(2)9-5-13(21-22-15(9)24)26-14-10(17)3-8(4-11(14)18)19-6-12-20-16(25)27-23-12/h3-5,7,19H,6H2,1-2H3,(H,22,24)(H,20,23,25)
InChIKeyPKZQKRHFNDZRHB-UHFFFAOYSA-N
XLogP3.28
TPSA125.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.23
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]anilino]methyl]-4H-1,2,4-oxadiazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]anilino]methyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]anilino]methyl]-4H-1,2,4-oxadiazol-5-one (CID 146402661) is 3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]anilino]methyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]anilino]methyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]anilino]methyl]-4H-1,2,4-oxadiazol-5-one is CC(C)c1cc(Oc2c(Cl)cc(NCc3noc(=O)[nH]3)cc2Cl)n[nH]c1=O.
What is the InChIKey of 3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]anilino]methyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is PKZQKRHFNDZRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O4/c1-7(2)9-5-13(21-22-15(9)24)26-14-10(17)3-8(4-11(14)18)19-6-12-20-16(25)27-23-12/h3-5,7,19H,6H2,1-2H3,(H,22,24)(H,20,23,25).
What are the key properties of 3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]anilino]methyl]-4H-1,2,4-oxadiazol-5-one?
3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]anilino]methyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 412.23 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]anilino]methyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 146402661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).