2-(1,3-benzoxazol-2-yl)-4-chloro-5-morpholin-4-ylpyridazin-3-one

C15H13ClN4O3 — CID 22431522

IUPAC2-(1,3-benzoxazol-2-yl)-4-chloro-5-morpholin-4-ylpyridazin-3-one
SMILESO=c1c(Cl)c(N2CCOCC2)cnn1-c1nc2ccccc2o1
InChIInChI=1S/C15H13ClN4O3/c16-13-11(19-5-7-22-8-6-19)9-17-20(14(13)21)15-18-10-3-1-2-4-12(10)23-15/h1-4,9H,5-8H2
InChIKeyVOUTVZNHLKJLFD-UHFFFAOYSA-N
MW332.75 g/mol
LogP1.86
Rot. Bonds2

About 2-(1,3-benzoxazol-2-yl)-4-chloro-5-morpholin-4-ylpyridazin-3-one

2-(1,3-benzoxazol-2-yl)-4-chloro-5-morpholin-4-ylpyridazin-3-one (PubChem CID 22431522) has the molecular formula C15H13ClN4O3 and a molecular weight of 332.75 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-4-chloro-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-4-chloro-5-morpholin-4-ylpyridazin-3-one
PubChem CID22431522
Molecular FormulaC15H13ClN4O3
Molecular Weight332.75 g/mol
Exact Mass332.07
IUPAC Name2-(1,3-benzoxazol-2-yl)-4-chloro-5-morpholin-4-ylpyridazin-3-one
SMILESO=c1c(Cl)c(N2CCOCC2)cnn1-c1nc2ccccc2o1
InChIInChI=1S/C15H13ClN4O3/c16-13-11(19-5-7-22-8-6-19)9-17-20(14(13)21)15-18-10-3-1-2-4-12(10)23-15/h1-4,9H,5-8H2
InChIKeyVOUTVZNHLKJLFD-UHFFFAOYSA-N
XLogP1.86
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-4-chloro-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-4-chloro-5-morpholin-4-ylpyridazin-3-one (CID 22431522) is 2-(1,3-benzoxazol-2-yl)-4-chloro-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-4-chloro-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-4-chloro-5-morpholin-4-ylpyridazin-3-one is O=c1c(Cl)c(N2CCOCC2)cnn1-c1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-4-chloro-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is VOUTVZNHLKJLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3/c16-13-11(19-5-7-22-8-6-19)9-17-20(14(13)21)15-18-10-3-1-2-4-12(10)23-15/h1-4,9H,5-8H2.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-4-chloro-5-morpholin-4-ylpyridazin-3-one?
2-(1,3-benzoxazol-2-yl)-4-chloro-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 332.75 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-4-chloro-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 22431522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).