(4R,5R)-4-(6-bromo-2-pyridinyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one

C15H13BrN2O3 — CID 86673405

IUPAC(4R,5R)-4-(6-bromo-2-pyridinyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1cccc([C@H]2OC(=O)N[C@@H]2c2cccc(Br)n2)c1
InChIInChI=1S/C15H13BrN2O3/c1-20-10-5-2-4-9(8-10)14-13(18-15(19)21-14)11-6-3-7-12(16)17-11/h2-8,13-14H,1H3,(H,18,19)/t13-,14-/m1/s1
InChIKeyYKXZBLIOLDXHJS-ZIAGYGMSSA-N
MW349.18 g/mol
LogP3.37
Rot. Bonds3

About (4R,5R)-4-(6-bromo-2-pyridinyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one

(4R,5R)-4-(6-bromo-2-pyridinyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 86673405) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is (4R,5R)-4-(6-bromo-2-pyridinyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-(6-bromo-2-pyridinyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID86673405
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name(4R,5R)-4-(6-bromo-2-pyridinyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1cccc([C@H]2OC(=O)N[C@@H]2c2cccc(Br)n2)c1
InChIInChI=1S/C15H13BrN2O3/c1-20-10-5-2-4-9(8-10)14-13(18-15(19)21-14)11-6-3-7-12(16)17-11/h2-8,13-14H,1H3,(H,18,19)/t13-,14-/m1/s1
InChIKeyYKXZBLIOLDXHJS-ZIAGYGMSSA-N
XLogP3.37
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R,5R)-4-(6-bromo-2-pyridinyl)-5-(3-methoxyphenyl)-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

Related Compounds

(4R,5S)-4-(3-bromophenyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69083647
(4R,5R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one
CID 69281903
(4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-methoxy-4-pyridinyl)phenyl]-1,3-oxazolidin-2-one
CID 69281800
(4R,5R)-5-(3-methoxyphenyl)-4-(3-pyrimidin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 70958057
(4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 69282100
(4R,5R)-4-[3-(6-fluoro-3-pyridinyl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69281889
(5S)-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 144623707
3-[3-[(4R,5R)-5-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-4-yl]phenyl]pyridine-2-carbonitrile
CID 69281890
(4R,5R)-4-[3-[2-(3-fluoro-2-pyridinyl)ethynyl]phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69093599
(4R,5R)-4-[3-[2-(4-fluoro-2-pyridinyl)ethynyl]phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69093536
(4R,5R)-5-(3-methoxyphenyl)-4-[3-[2-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
CID 70958507
(4S,5S)-4-(3-methoxyphenyl)-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 89033364

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-(6-bromo-2-pyridinyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-4-(6-bromo-2-pyridinyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one (CID 86673405) is (4R,5R)-4-(6-bromo-2-pyridinyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-4-(6-bromo-2-pyridinyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-4-(6-bromo-2-pyridinyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one is COc1cccc([C@H]2OC(=O)N[C@@H]2c2cccc(Br)n2)c1.
What is the InChIKey of (4R,5R)-4-(6-bromo-2-pyridinyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is YKXZBLIOLDXHJS-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-20-10-5-2-4-9(8-10)14-13(18-15(19)21-14)11-6-3-7-12(16)17-11/h2-8,13-14H,1H3,(H,18,19)/t13-,14-/m1/s1.
What are the key properties of (4R,5R)-4-(6-bromo-2-pyridinyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one?
(4R,5R)-4-(6-bromo-2-pyridinyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 349.18 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-(6-bromo-2-pyridinyl)-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 86673405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).