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

C15H16N4O2S — CID 67466277

IUPAC3-(2-thiomorpholin-4-yl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc3nc(N4CCSCC4)oc3c2)=NN1
InChIInChI=1S/C15H16N4O2S/c20-14-4-3-11(17-18-14)10-1-2-12-13(9-10)21-15(16-12)19-5-7-22-8-6-19/h1-2,9H,3-8H2,(H,18,20)
InChIKeyLRSNWTOWYOEWMX-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.00
Rot. Bonds2

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

3-(2-thiomorpholin-4-yl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 67466277) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 3-(2-thiomorpholin-4-yl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2-thiomorpholin-4-yl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID67466277
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name3-(2-thiomorpholin-4-yl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc3nc(N4CCSCC4)oc3c2)=NN1
InChIInChI=1S/C15H16N4O2S/c20-14-4-3-11(17-18-14)10-1-2-12-13(9-10)21-15(16-12)19-5-7-22-8-6-19/h1-2,9H,3-8H2,(H,18,20)
InChIKeyLRSNWTOWYOEWMX-UHFFFAOYSA-N
XLogP2.00
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-thiomorpholin-4-yl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(2-thiomorpholin-4-yl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one (CID 67466277) is 3-(2-thiomorpholin-4-yl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2-thiomorpholin-4-yl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(2-thiomorpholin-4-yl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(c2ccc3nc(N4CCSCC4)oc3c2)=NN1.
What is the InChIKey of 3-(2-thiomorpholin-4-yl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is LRSNWTOWYOEWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c20-14-4-3-11(17-18-14)10-1-2-12-13(9-10)21-15(16-12)19-5-7-22-8-6-19/h1-2,9H,3-8H2,(H,18,20).
What are the key properties of 3-(2-thiomorpholin-4-yl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one?
3-(2-thiomorpholin-4-yl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 316.39 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiomorpholin-4-yl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 67466277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).