4-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]-2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one

C20H24N4O3 — CID 129031227

IUPAC4-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]-2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one
SMILESCc1ccc(CN2OCC(N3CCN(c4ccc(O)cn4)CC3)C2=O)cc1
InChIInChI=1S/C20H24N4O3/c1-15-2-4-16(5-3-15)13-24-20(26)18(14-27-24)22-8-10-23(11-9-22)19-7-6-17(25)12-21-19/h2-7,12,18,25H,8-11,13-14H2,1H3
InChIKeyPSXAMPZZTNVYRP-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.56
Rot. Bonds4

About 4-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]-2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one

4-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]-2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one (PubChem CID 129031227) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]-2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]-2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one
PubChem CID129031227
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]-2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one
SMILESCc1ccc(CN2OCC(N3CCN(c4ccc(O)cn4)CC3)C2=O)cc1
InChIInChI=1S/C20H24N4O3/c1-15-2-4-16(5-3-15)13-24-20(26)18(14-27-24)22-8-10-23(11-9-22)19-7-6-17(25)12-21-19/h2-7,12,18,25H,8-11,13-14H2,1H3
InChIKeyPSXAMPZZTNVYRP-UHFFFAOYSA-N
XLogP1.56
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]-2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one?
The IUPAC name of 4-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]-2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one (CID 129031227) is 4-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]-2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 4-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]-2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 4-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]-2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one is Cc1ccc(CN2OCC(N3CCN(c4ccc(O)cn4)CC3)C2=O)cc1.
What is the InChIKey of 4-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]-2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one?
The InChIKey is PSXAMPZZTNVYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-15-2-4-16(5-3-15)13-24-20(26)18(14-27-24)22-8-10-23(11-9-22)19-7-6-17(25)12-21-19/h2-7,12,18,25H,8-11,13-14H2,1H3.
What are the key properties of 4-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]-2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one?
4-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]-2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one has a molecular weight of 368.44 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]-2-[(4-methylphenyl)methyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 129031227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).