2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N,N-dipropylacetamide

C20H25N5O3 — CID 71823958

IUPAC2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O
InChIInChI=1S/C20H25N5O3/c1-3-12-24(13-4-2)18(27)14-25-17(26)11-10-16(22-25)20-21-19(23-28-20)15-8-6-5-7-9-15/h5-9H,3-4,10-14H2,1-2H3
InChIKeyVSJFHLJAAVWIKN-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.71
Rot. Bonds8

About 2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N,N-dipropylacetamide

2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N,N-dipropylacetamide (PubChem CID 71823958) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N,N-dipropylacetamide
PubChem CID71823958
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O
InChIInChI=1S/C20H25N5O3/c1-3-12-24(13-4-2)18(27)14-25-17(26)11-10-16(22-25)20-21-19(23-28-20)15-8-6-5-7-9-15/h5-9H,3-4,10-14H2,1-2H3
InChIKeyVSJFHLJAAVWIKN-UHFFFAOYSA-N
XLogP2.71
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N,N-dipropylacetamide (CID 71823958) is 2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O.
What is the InChIKey of 2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N,N-dipropylacetamide?
The InChIKey is VSJFHLJAAVWIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-3-12-24(13-4-2)18(27)14-25-17(26)11-10-16(22-25)20-21-19(23-28-20)15-8-6-5-7-9-15/h5-9H,3-4,10-14H2,1-2H3.
What are the key properties of 2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N,N-dipropylacetamide?
2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N,N-dipropylacetamide has a molecular weight of 383.45 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 71823958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).