1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C14H20N4O3 — CID 1483802

IUPAC1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccccn2)CC1)N1C[C@H](O)CO1
InChIInChI=1S/C14H20N4O3/c19-12-9-18(21-11-12)14(20)10-16-5-7-17(8-6-16)13-3-1-2-4-15-13/h1-4,12,19H,5-11H2/t12-/m0/s1
InChIKeyVDFPADPDZBNDRW-LBPRGKRZSA-N
MW292.34 g/mol
LogP-0.66
Rot. Bonds3

About 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone

1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 1483802) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID1483802
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccccn2)CC1)N1C[C@H](O)CO1
InChIInChI=1S/C14H20N4O3/c19-12-9-18(21-11-12)14(20)10-16-5-7-17(8-6-16)13-3-1-2-4-15-13/h1-4,12,19H,5-11H2/t12-/m0/s1
InChIKeyVDFPADPDZBNDRW-LBPRGKRZSA-N
XLogP-0.66
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]ethanone
CID 1483777
1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 111446252
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119402906
1-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 136545295
1-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 128988151
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
1-(4-benzylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8547000
1-(furan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 43228329
2-(4-pyridin-2-ylpiperazin-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 51199552
1-(3,3-dimethylmorpholin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 71866921

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 1483802) is 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone is O=C(CN1CCN(c2ccccn2)CC1)N1C[C@H](O)CO1.
What is the InChIKey of 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is VDFPADPDZBNDRW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-12-9-18(21-11-12)14(20)10-16-5-7-17(8-6-16)13-3-1-2-4-15-13/h1-4,12,19H,5-11H2/t12-/m0/s1.
What are the key properties of 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 292.34 g/mol, XLogP of -0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 1483802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).