4-ethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one

C23H24N4O3 — CID 54591335

IUPAC4-ethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCCC1CC(=O)NN=C1c1ccc2nc(-c3ccc(N4CCOCC4)cc3)oc2c1
InChIInChI=1S/C23H24N4O3/c1-2-15-14-21(28)25-26-22(15)17-5-8-19-20(13-17)30-23(24-19)16-3-6-18(7-4-16)27-9-11-29-12-10-27/h3-8,13,15H,2,9-12,14H2,1H3,(H,25,28)
InChIKeyVUMHLSDGAKCABJ-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.58
Rot. Bonds4

About 4-ethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one

4-ethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 54591335) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-ethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-ethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID54591335
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name4-ethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCCC1CC(=O)NN=C1c1ccc2nc(-c3ccc(N4CCOCC4)cc3)oc2c1
InChIInChI=1S/C23H24N4O3/c1-2-15-14-21(28)25-26-22(15)17-5-8-19-20(13-17)30-23(24-19)16-3-6-18(7-4-16)27-9-11-29-12-10-27/h3-8,13,15H,2,9-12,14H2,1H3,(H,25,28)
InChIKeyVUMHLSDGAKCABJ-UHFFFAOYSA-N
XLogP3.58
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 4-ethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one (CID 54591335) is 4-ethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 4-ethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 4-ethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one is CCC1CC(=O)NN=C1c1ccc2nc(-c3ccc(N4CCOCC4)cc3)oc2c1.
What is the InChIKey of 4-ethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is VUMHLSDGAKCABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-2-15-14-21(28)25-26-22(15)17-5-8-19-20(13-17)30-23(24-19)16-3-6-18(7-4-16)27-9-11-29-12-10-27/h3-8,13,15H,2,9-12,14H2,1H3,(H,25,28).
What are the key properties of 4-ethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one?
4-ethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 404.47 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 54591335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).