(5R)-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one

C26H28N4O2 — CID 24964503

IUPAC(5R)-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one
SMILESCN1CCN(c2ccc(-c3ccc(CN4C[C@@H](c5ccccc5)OC4=O)cc3)cn2)CC1
InChIInChI=1S/C26H28N4O2/c1-28-13-15-29(16-14-28)25-12-11-23(17-27-25)21-9-7-20(8-10-21)18-30-19-24(32-26(30)31)22-5-3-2-4-6-22/h2-12,17,24H,13-16,18-19H2,1H3/t24-/m0/s1
InChIKeyJVZRLBWVJTZZDS-DEOSSOPVSA-N
MW428.54 g/mol
LogP4.19
Rot. Bonds5

About (5R)-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one

(5R)-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 24964503) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is (5R)-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one
PubChem CID24964503
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name(5R)-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one
SMILESCN1CCN(c2ccc(-c3ccc(CN4C[C@@H](c5ccccc5)OC4=O)cc3)cn2)CC1
InChIInChI=1S/C26H28N4O2/c1-28-13-15-29(16-14-28)25-12-11-23(17-27-25)21-9-7-20(8-10-21)18-30-19-24(32-26(30)31)22-5-3-2-4-6-22/h2-12,17,24H,13-16,18-19H2,1H3/t24-/m0/s1
InChIKeyJVZRLBWVJTZZDS-DEOSSOPVSA-N
XLogP4.19
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one (CID 24964503) is (5R)-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one is CN1CCN(c2ccc(-c3ccc(CN4C[C@@H](c5ccccc5)OC4=O)cc3)cn2)CC1.
What is the InChIKey of (5R)-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is JVZRLBWVJTZZDS-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-28-13-15-29(16-14-28)25-12-11-23(17-27-25)21-9-7-20(8-10-21)18-30-19-24(32-26(30)31)22-5-3-2-4-6-22/h2-12,17,24H,13-16,18-19H2,1H3/t24-/m0/s1.
What are the key properties of (5R)-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one?
(5R)-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 428.54 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 24964503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).