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

C18H15N3O2 — CID 67466143

IUPAC5-methyl-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(c2ccc3nc(-c4ccccc4)oc3c2)=NNC1=O
InChIInChI=1S/C18H15N3O2/c1-11-9-15(20-21-17(11)22)13-7-8-14-16(10-13)23-18(19-14)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,21,22)
InChIKeyHALHKOWIHFOWJQ-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.35
Rot. Bonds2

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

5-methyl-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 67466143) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-methyl-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-methyl-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID67466143
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name5-methyl-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(c2ccc3nc(-c4ccccc4)oc3c2)=NNC1=O
InChIInChI=1S/C18H15N3O2/c1-11-9-15(20-21-17(11)22)13-7-8-14-16(10-13)23-18(19-14)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,21,22)
InChIKeyHALHKOWIHFOWJQ-UHFFFAOYSA-N
XLogP3.35
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 5-methyl-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one (CID 67466143) is 5-methyl-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 5-methyl-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 5-methyl-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one is CC1CC(c2ccc3nc(-c4ccccc4)oc3c2)=NNC1=O.
What is the InChIKey of 5-methyl-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is HALHKOWIHFOWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-11-9-15(20-21-17(11)22)13-7-8-14-16(10-13)23-18(19-14)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,21,22).
What are the key properties of 5-methyl-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one?
5-methyl-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 305.34 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-phenyl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 67466143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).