5-[(3-methyl-6-oxopyridazin-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one

C15H15N3O3 — CID 86795311

IUPAC5-[(3-methyl-6-oxopyridazin-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESCc1ccc(=O)n(CC2CN(c3ccccc3)C(=O)O2)n1
InChIInChI=1S/C15H15N3O3/c1-11-7-8-14(19)18(16-11)10-13-9-17(15(20)21-13)12-5-3-2-4-6-12/h2-8,13H,9-10H2,1H3
InChIKeyLUBRQJOVYCQQCH-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.58
Rot. Bonds3

About 5-[(3-methyl-6-oxopyridazin-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one

5-[(3-methyl-6-oxopyridazin-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 86795311) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-[(3-methyl-6-oxopyridazin-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(3-methyl-6-oxopyridazin-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one
PubChem CID86795311
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-[(3-methyl-6-oxopyridazin-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESCc1ccc(=O)n(CC2CN(c3ccccc3)C(=O)O2)n1
InChIInChI=1S/C15H15N3O3/c1-11-7-8-14(19)18(16-11)10-13-9-17(15(20)21-13)12-5-3-2-4-6-12/h2-8,13H,9-10H2,1H3
InChIKeyLUBRQJOVYCQQCH-UHFFFAOYSA-N
XLogP1.58
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-6-oxopyridazin-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(3-methyl-6-oxopyridazin-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one (CID 86795311) is 5-[(3-methyl-6-oxopyridazin-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(3-methyl-6-oxopyridazin-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(3-methyl-6-oxopyridazin-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one is Cc1ccc(=O)n(CC2CN(c3ccccc3)C(=O)O2)n1.
What is the InChIKey of 5-[(3-methyl-6-oxopyridazin-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is LUBRQJOVYCQQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-11-7-8-14(19)18(16-11)10-13-9-17(15(20)21-13)12-5-3-2-4-6-12/h2-8,13H,9-10H2,1H3.
What are the key properties of 5-[(3-methyl-6-oxopyridazin-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one?
5-[(3-methyl-6-oxopyridazin-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 285.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-6-oxopyridazin-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 86795311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).