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

C18H15N3O3 — CID 67467158

IUPAC3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc2nc(-c3cccc(O)c3)oc2c1
InChIInChI=1S/C18H15N3O3/c1-10-7-16(23)20-21-17(10)11-5-6-14-15(9-11)24-18(19-14)12-3-2-4-13(22)8-12/h2-6,8-10,22H,7H2,1H3,(H,20,23)
InChIKeyCXOFHZRZCGGIFR-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.06
Rot. Bonds2

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

3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 67467158) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID67467158
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc2nc(-c3cccc(O)c3)oc2c1
InChIInChI=1S/C18H15N3O3/c1-10-7-16(23)20-21-17(10)11-5-6-14-15(9-11)24-18(19-14)12-3-2-4-13(22)8-12/h2-6,8-10,22H,7H2,1H3,(H,20,23)
InChIKeyCXOFHZRZCGGIFR-UHFFFAOYSA-N
XLogP3.06
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 67467158) is 3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is CC1CC(=O)NN=C1c1ccc2nc(-c3cccc(O)c3)oc2c1.
What is the InChIKey of 3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is CXOFHZRZCGGIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-10-7-16(23)20-21-17(10)11-5-6-14-15(9-11)24-18(19-14)12-3-2-4-13(22)8-12/h2-6,8-10,22H,7H2,1H3,(H,20,23).
What are the key properties of 3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 321.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 67467158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).