3-(2-phenyl-1,3-benzoxazol-6-yl)-4-propan-2-yl-4,5-dihydro-1H-pyridazin-6-one

C20H19N3O2 — CID 54591954

IUPAC3-(2-phenyl-1,3-benzoxazol-6-yl)-4-propan-2-yl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(C)C1CC(=O)NN=C1c1ccc2nc(-c3ccccc3)oc2c1
InChIInChI=1S/C20H19N3O2/c1-12(2)15-11-18(24)22-23-19(15)14-8-9-16-17(10-14)25-20(21-16)13-6-4-3-5-7-13/h3-10,12,15H,11H2,1-2H3,(H,22,24)
InChIKeyKNLOYUUHCARONP-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.99
Rot. Bonds3

About 3-(2-phenyl-1,3-benzoxazol-6-yl)-4-propan-2-yl-4,5-dihydro-1H-pyridazin-6-one

3-(2-phenyl-1,3-benzoxazol-6-yl)-4-propan-2-yl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 54591954) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(2-phenyl-1,3-benzoxazol-6-yl)-4-propan-2-yl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2-phenyl-1,3-benzoxazol-6-yl)-4-propan-2-yl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID54591954
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3-(2-phenyl-1,3-benzoxazol-6-yl)-4-propan-2-yl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(C)C1CC(=O)NN=C1c1ccc2nc(-c3ccccc3)oc2c1
InChIInChI=1S/C20H19N3O2/c1-12(2)15-11-18(24)22-23-19(15)14-8-9-16-17(10-14)25-20(21-16)13-6-4-3-5-7-13/h3-10,12,15H,11H2,1-2H3,(H,22,24)
InChIKeyKNLOYUUHCARONP-UHFFFAOYSA-N
XLogP3.99
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenyl-1,3-benzoxazol-6-yl)-4-propan-2-yl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(2-phenyl-1,3-benzoxazol-6-yl)-4-propan-2-yl-4,5-dihydro-1H-pyridazin-6-one (CID 54591954) is 3-(2-phenyl-1,3-benzoxazol-6-yl)-4-propan-2-yl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2-phenyl-1,3-benzoxazol-6-yl)-4-propan-2-yl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(2-phenyl-1,3-benzoxazol-6-yl)-4-propan-2-yl-4,5-dihydro-1H-pyridazin-6-one is CC(C)C1CC(=O)NN=C1c1ccc2nc(-c3ccccc3)oc2c1.
What is the InChIKey of 3-(2-phenyl-1,3-benzoxazol-6-yl)-4-propan-2-yl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is KNLOYUUHCARONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-12(2)15-11-18(24)22-23-19(15)14-8-9-16-17(10-14)25-20(21-16)13-6-4-3-5-7-13/h3-10,12,15H,11H2,1-2H3,(H,22,24).
What are the key properties of 3-(2-phenyl-1,3-benzoxazol-6-yl)-4-propan-2-yl-4,5-dihydro-1H-pyridazin-6-one?
3-(2-phenyl-1,3-benzoxazol-6-yl)-4-propan-2-yl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 333.39 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenyl-1,3-benzoxazol-6-yl)-4-propan-2-yl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 54591954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).