3-[[3,5-dichloro-N-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]methyl]-4H-1,2,4-oxadiazol-5-one

C18H19Cl2N5O4 — CID 146402696

IUPAC3-[[3,5-dichloro-N-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]methyl]-4H-1,2,4-oxadiazol-5-one
SMILESCC(C)c1cc(Oc2c(Cl)cc(N(C)Cc3noc(=O)[nH]3)cc2Cl)nn(C)c1=O
InChIInChI=1S/C18H19Cl2N5O4/c1-9(2)11-7-15(22-25(4)17(11)26)28-16-12(19)5-10(6-13(16)20)24(3)8-14-21-18(27)29-23-14/h5-7,9H,8H2,1-4H3,(H,21,23,27)
InChIKeyDRXYEOQENPSBGI-UHFFFAOYSA-N
MW440.29 g/mol
LogP3.32
Rot. Bonds6

About 3-[[3,5-dichloro-N-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]methyl]-4H-1,2,4-oxadiazol-5-one

3-[[3,5-dichloro-N-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]methyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 146402696) has the molecular formula C18H19Cl2N5O4 and a molecular weight of 440.29 g/mol. Its IUPAC name is 3-[[3,5-dichloro-N-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]methyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[[3,5-dichloro-N-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]methyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID146402696
Molecular FormulaC18H19Cl2N5O4
Molecular Weight440.29 g/mol
Exact Mass439.08
IUPAC Name3-[[3,5-dichloro-N-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]methyl]-4H-1,2,4-oxadiazol-5-one
SMILESCC(C)c1cc(Oc2c(Cl)cc(N(C)Cc3noc(=O)[nH]3)cc2Cl)nn(C)c1=O
InChIInChI=1S/C18H19Cl2N5O4/c1-9(2)11-7-15(22-25(4)17(11)26)28-16-12(19)5-10(6-13(16)20)24(3)8-14-21-18(27)29-23-14/h5-7,9H,8H2,1-4H3,(H,21,23,27)
InChIKeyDRXYEOQENPSBGI-UHFFFAOYSA-N
XLogP3.32
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[3,5-dichloro-N-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]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-N-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]methyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[[3,5-dichloro-N-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]methyl]-4H-1,2,4-oxadiazol-5-one (CID 146402696) is 3-[[3,5-dichloro-N-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]methyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[[3,5-dichloro-N-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]methyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[[3,5-dichloro-N-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]methyl]-4H-1,2,4-oxadiazol-5-one is CC(C)c1cc(Oc2c(Cl)cc(N(C)Cc3noc(=O)[nH]3)cc2Cl)nn(C)c1=O.
What is the InChIKey of 3-[[3,5-dichloro-N-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]methyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is DRXYEOQENPSBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5O4/c1-9(2)11-7-15(22-25(4)17(11)26)28-16-12(19)5-10(6-13(16)20)24(3)8-14-21-18(27)29-23-14/h5-7,9H,8H2,1-4H3,(H,21,23,27).
What are the key properties of 3-[[3,5-dichloro-N-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]methyl]-4H-1,2,4-oxadiazol-5-one?
3-[[3,5-dichloro-N-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]methyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 440.29 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dichloro-N-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]methyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 146402696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).