6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(1R)-1-phenylethyl]pyridazin-3-one

C17H17N3O2 — CID 90235151

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(1R)-1-phenylethyl]pyridazin-3-one
SMILESCc1noc(C)c1-c1ccc(=O)n([C@H](C)c2ccccc2)n1
InChIInChI=1S/C17H17N3O2/c1-11-17(13(3)22-19-11)15-9-10-16(21)20(18-15)12(2)14-7-5-4-6-8-14/h4-10,12H,1-3H3/t12-/m1/s1
InChIKeyODGCFQGLLAMCTF-GFCCVEGCSA-N
MW295.34 g/mol
LogP3.12
Rot. Bonds3

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(1R)-1-phenylethyl]pyridazin-3-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(1R)-1-phenylethyl]pyridazin-3-one (PubChem CID 90235151) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(1R)-1-phenylethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(1R)-1-phenylethyl]pyridazin-3-one
PubChem CID90235151
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(1R)-1-phenylethyl]pyridazin-3-one
SMILESCc1noc(C)c1-c1ccc(=O)n([C@H](C)c2ccccc2)n1
InChIInChI=1S/C17H17N3O2/c1-11-17(13(3)22-19-11)15-9-10-16(21)20(18-15)12(2)14-7-5-4-6-8-14/h4-10,12H,1-3H3/t12-/m1/s1
InChIKeyODGCFQGLLAMCTF-GFCCVEGCSA-N
XLogP3.12
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(1R)-1-phenylethyl]pyridazin-3-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(1R)-1-phenylethyl]pyridazin-3-one (CID 90235151) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(1R)-1-phenylethyl]pyridazin-3-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(1R)-1-phenylethyl]pyridazin-3-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(1R)-1-phenylethyl]pyridazin-3-one is Cc1noc(C)c1-c1ccc(=O)n([C@H](C)c2ccccc2)n1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(1R)-1-phenylethyl]pyridazin-3-one?
The InChIKey is ODGCFQGLLAMCTF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-17(13(3)22-19-11)15-9-10-16(21)20(18-15)12(2)14-7-5-4-6-8-14/h4-10,12H,1-3H3/t12-/m1/s1.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(1R)-1-phenylethyl]pyridazin-3-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(1R)-1-phenylethyl]pyridazin-3-one has a molecular weight of 295.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(1R)-1-phenylethyl]pyridazin-3-one is sourced from PubChem (CID 90235151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).