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

C18H19Cl2N5O4 — CID 146402589

IUPAC3-[[3,5-dichloro-2-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]methyl]-4H-1,2,4-oxadiazol-5-one
SMILESCc1c(NCc2noc(=O)[nH]2)cc(Cl)c(Oc2cc(C(C)C)c(=O)n(C)n2)c1Cl
InChIInChI=1S/C18H19Cl2N5O4/c1-8(2)10-5-14(23-25(4)17(10)26)28-16-11(19)6-12(9(3)15(16)20)21-7-13-22-18(27)29-24-13/h5-6,8,21H,7H2,1-4H3,(H,22,24,27)
InChIKeyVQDIBUZUFJZSFY-UHFFFAOYSA-N
MW440.29 g/mol
LogP3.60
Rot. Bonds6

About 3-[[3,5-dichloro-2-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-2-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]methyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 146402589) has the molecular formula C18H19Cl2N5O4 and a molecular weight of 440.29 g/mol. Its IUPAC name is 3-[[3,5-dichloro-2-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-2-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]methyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID146402589
Molecular FormulaC18H19Cl2N5O4
Molecular Weight440.29 g/mol
Exact Mass439.08
IUPAC Name3-[[3,5-dichloro-2-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]methyl]-4H-1,2,4-oxadiazol-5-one
SMILESCc1c(NCc2noc(=O)[nH]2)cc(Cl)c(Oc2cc(C(C)C)c(=O)n(C)n2)c1Cl
InChIInChI=1S/C18H19Cl2N5O4/c1-8(2)10-5-14(23-25(4)17(10)26)28-16-11(19)6-12(9(3)15(16)20)21-7-13-22-18(27)29-24-13/h5-6,8,21H,7H2,1-4H3,(H,22,24,27)
InChIKeyVQDIBUZUFJZSFY-UHFFFAOYSA-N
XLogP3.60
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.29
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dichloro-2-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-2-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]methyl]-4H-1,2,4-oxadiazol-5-one (CID 146402589) is 3-[[3,5-dichloro-2-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-2-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-2-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]methyl]-4H-1,2,4-oxadiazol-5-one is Cc1c(NCc2noc(=O)[nH]2)cc(Cl)c(Oc2cc(C(C)C)c(=O)n(C)n2)c1Cl.
What is the InChIKey of 3-[[3,5-dichloro-2-methyl-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]methyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is VQDIBUZUFJZSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5O4/c1-8(2)10-5-14(23-25(4)17(10)26)28-16-11(19)6-12(9(3)15(16)20)21-7-13-22-18(27)29-24-13/h5-6,8,21H,7H2,1-4H3,(H,22,24,27).
What are the key properties of 3-[[3,5-dichloro-2-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-2-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 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dichloro-2-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 146402589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).