3-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1,3-oxazolidin-2-one

C17H13N3O3 — CID 139544145

IUPAC3-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C17H13N3O3/c21-16-14-4-2-1-3-13(14)15(18-19-16)11-5-7-12(8-6-11)20-9-10-23-17(20)22/h1-8H,9-10H2,(H,19,21)
InChIKeyWTHSESWOAXSAOD-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.55
Rot. Bonds2

About 3-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1,3-oxazolidin-2-one

3-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 139544145) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 3-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1,3-oxazolidin-2-one
PubChem CID139544145
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name3-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C17H13N3O3/c21-16-14-4-2-1-3-13(14)15(18-19-16)11-5-7-12(8-6-11)20-9-10-23-17(20)22/h1-8H,9-10H2,(H,19,21)
InChIKeyWTHSESWOAXSAOD-UHFFFAOYSA-N
XLogP2.55
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1,3-oxazolidin-2-one (CID 139544145) is 3-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1,3-oxazolidin-2-one is O=C1OCCN1c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1.
What is the InChIKey of 3-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is WTHSESWOAXSAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-16-14-4-2-1-3-13(14)15(18-19-16)11-5-7-12(8-6-11)20-9-10-23-17(20)22/h1-8H,9-10H2,(H,19,21).
What are the key properties of 3-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1,3-oxazolidin-2-one?
3-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 307.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139544145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).