3-[3-[(6-bromo-2-pyridinyl)methylamino]phenyl]-1,3-oxazolidin-2-one

C15H14BrN3O2 — CID 115938027

IUPAC3-[3-[(6-bromo-2-pyridinyl)methylamino]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cccc(NCc2cccc(Br)n2)c1
InChIInChI=1S/C15H14BrN3O2/c16-14-6-2-4-12(18-14)10-17-11-3-1-5-13(9-11)19-7-8-21-15(19)20/h1-6,9,17H,7-8,10H2
InChIKeyHWTVNUWRKNHNPB-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.41
Rot. Bonds4

About 3-[3-[(6-bromo-2-pyridinyl)methylamino]phenyl]-1,3-oxazolidin-2-one

3-[3-[(6-bromo-2-pyridinyl)methylamino]phenyl]-1,3-oxazolidin-2-one (PubChem CID 115938027) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 3-[3-[(6-bromo-2-pyridinyl)methylamino]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[(6-bromo-2-pyridinyl)methylamino]phenyl]-1,3-oxazolidin-2-one
PubChem CID115938027
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name3-[3-[(6-bromo-2-pyridinyl)methylamino]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cccc(NCc2cccc(Br)n2)c1
InChIInChI=1S/C15H14BrN3O2/c16-14-6-2-4-12(18-14)10-17-11-3-1-5-13(9-11)19-7-8-21-15(19)20/h1-6,9,17H,7-8,10H2
InChIKeyHWTVNUWRKNHNPB-UHFFFAOYSA-N
XLogP3.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(6-bromo-2-pyridinyl)methylamino]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[(6-bromo-2-pyridinyl)methylamino]phenyl]-1,3-oxazolidin-2-one (CID 115938027) is 3-[3-[(6-bromo-2-pyridinyl)methylamino]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[(6-bromo-2-pyridinyl)methylamino]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[(6-bromo-2-pyridinyl)methylamino]phenyl]-1,3-oxazolidin-2-one is O=C1OCCN1c1cccc(NCc2cccc(Br)n2)c1.
What is the InChIKey of 3-[3-[(6-bromo-2-pyridinyl)methylamino]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is HWTVNUWRKNHNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c16-14-6-2-4-12(18-14)10-17-11-3-1-5-13(9-11)19-7-8-21-15(19)20/h1-6,9,17H,7-8,10H2.
What are the key properties of 3-[3-[(6-bromo-2-pyridinyl)methylamino]phenyl]-1,3-oxazolidin-2-one?
3-[3-[(6-bromo-2-pyridinyl)methylamino]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 348.20 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(6-bromo-2-pyridinyl)methylamino]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 115938027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).