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

C18H19Cl2N5O4 — CID 146402641

IUPAC3-[1-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]ethyl]-4H-1,2,4-oxadiazol-5-one
SMILESCC(C)c1cc(Oc2c(Cl)cc(NC(C)c3noc(=O)[nH]3)cc2Cl)nn(C)c1=O
InChIInChI=1S/C18H19Cl2N5O4/c1-8(2)11-7-14(23-25(4)17(11)26)28-15-12(19)5-10(6-13(15)20)21-9(3)16-22-18(27)29-24-16/h5-9,21H,1-4H3,(H,22,24,27)
InChIKeyNMQHHLWLAVRNJY-UHFFFAOYSA-N
MW440.29 g/mol
LogP3.85
Rot. Bonds6

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

3-[1-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]ethyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 146402641) has the molecular formula C18H19Cl2N5O4 and a molecular weight of 440.29 g/mol. Its IUPAC name is 3-[1-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]ethyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[1-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]ethyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID146402641
Molecular FormulaC18H19Cl2N5O4
Molecular Weight440.29 g/mol
Exact Mass439.08
IUPAC Name3-[1-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]ethyl]-4H-1,2,4-oxadiazol-5-one
SMILESCC(C)c1cc(Oc2c(Cl)cc(NC(C)c3noc(=O)[nH]3)cc2Cl)nn(C)c1=O
InChIInChI=1S/C18H19Cl2N5O4/c1-8(2)11-7-14(23-25(4)17(11)26)28-15-12(19)5-10(6-13(15)20)21-9(3)16-22-18(27)29-24-16/h5-9,21H,1-4H3,(H,22,24,27)
InChIKeyNMQHHLWLAVRNJY-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]ethyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[1-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]ethyl]-4H-1,2,4-oxadiazol-5-one (CID 146402641) is 3-[1-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]ethyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[1-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]ethyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[1-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]ethyl]-4H-1,2,4-oxadiazol-5-one is CC(C)c1cc(Oc2c(Cl)cc(NC(C)c3noc(=O)[nH]3)cc2Cl)nn(C)c1=O.
What is the InChIKey of 3-[1-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]ethyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is NMQHHLWLAVRNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5O4/c1-8(2)11-7-14(23-25(4)17(11)26)28-15-12(19)5-10(6-13(15)20)21-9(3)16-22-18(27)29-24-16/h5-9,21H,1-4H3,(H,22,24,27).
What are the key properties of 3-[1-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]ethyl]-4H-1,2,4-oxadiazol-5-one?
3-[1-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]ethyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 440.29 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyanilino]ethyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 146402641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).