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

C19H17N3O3 — CID 67467925

IUPAC4-ethyl-3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCCC1CC(=O)NN=C1c1ccc2nc(-c3cccc(O)c3)oc2c1
InChIInChI=1S/C19H17N3O3/c1-2-11-10-17(24)21-22-18(11)12-6-7-15-16(9-12)25-19(20-15)13-4-3-5-14(23)8-13/h3-9,11,23H,2,10H2,1H3,(H,21,24)
InChIKeyNPHCJJRXAPDNIG-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.45
Rot. Bonds3

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

4-ethyl-3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 67467925) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-ethyl-3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-ethyl-3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID67467925
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name4-ethyl-3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCCC1CC(=O)NN=C1c1ccc2nc(-c3cccc(O)c3)oc2c1
InChIInChI=1S/C19H17N3O3/c1-2-11-10-17(24)21-22-18(11)12-6-7-15-16(9-12)25-19(20-15)13-4-3-5-14(23)8-13/h3-9,11,23H,2,10H2,1H3,(H,21,24)
InChIKeyNPHCJJRXAPDNIG-UHFFFAOYSA-N
XLogP3.45
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 4-ethyl-3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one (CID 67467925) is 4-ethyl-3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 4-ethyl-3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 4-ethyl-3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one is CCC1CC(=O)NN=C1c1ccc2nc(-c3cccc(O)c3)oc2c1.
What is the InChIKey of 4-ethyl-3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is NPHCJJRXAPDNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-2-11-10-17(24)21-22-18(11)12-6-7-15-16(9-12)25-19(20-15)13-4-3-5-14(23)8-13/h3-9,11,23H,2,10H2,1H3,(H,21,24).
What are the key properties of 4-ethyl-3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one?
4-ethyl-3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 335.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 67467925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).