2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]ethanone

C14H19ClN4O3 — CID 1483777

IUPAC2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]ethanone
SMILESO=C(CN1CCN(c2cccc(Cl)n2)CC1)N1C[C@@H](O)CO1
InChIInChI=1S/C14H19ClN4O3/c15-12-2-1-3-13(16-12)18-6-4-17(5-7-18)9-14(21)19-8-11(20)10-22-19/h1-3,11,20H,4-10H2/t11-/m1/s1
InChIKeyLMBROFMDQOXBNM-LLVKDONJSA-N
MW326.78 g/mol
LogP-0.01
Rot. Bonds3

About 2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]ethanone

2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]ethanone (PubChem CID 1483777) has the molecular formula C14H19ClN4O3 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]ethanone.

Molecular Properties

Compound Name2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]ethanone
PubChem CID1483777
Molecular FormulaC14H19ClN4O3
Molecular Weight326.78 g/mol
Exact Mass326.11
IUPAC Name2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]ethanone
SMILESO=C(CN1CCN(c2cccc(Cl)n2)CC1)N1C[C@@H](O)CO1
InChIInChI=1S/C14H19ClN4O3/c15-12-2-1-3-13(16-12)18-6-4-17(5-7-18)9-14(21)19-8-11(20)10-22-19/h1-3,11,20H,4-10H2/t11-/m1/s1
InChIKeyLMBROFMDQOXBNM-LLVKDONJSA-N
XLogP-0.01
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]ethanone 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 2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]ethanone?
The IUPAC name of 2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]ethanone (CID 1483777) is 2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]ethanone.
What is the SMILES notation for 2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]ethanone?
The canonical SMILES for 2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]ethanone is O=C(CN1CCN(c2cccc(Cl)n2)CC1)N1C[C@@H](O)CO1.
What is the InChIKey of 2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]ethanone?
The InChIKey is LMBROFMDQOXBNM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19ClN4O3/c15-12-2-1-3-13(16-12)18-6-4-17(5-7-18)9-14(21)19-8-11(20)10-22-19/h1-3,11,20H,4-10H2/t11-/m1/s1.
What are the key properties of 2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]ethanone?
2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]ethanone has a molecular weight of 326.78 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]ethanone is sourced from PubChem (CID 1483777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).