(5R)-5-(4-chlorophenyl)-3-[[4-[2-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one

C27H28ClN3O2 — CID 59515473

IUPAC(5R)-5-(4-chlorophenyl)-3-[[4-[2-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](c2ccc(Cl)cc2)CN1Cc1ccc(-c2ccccc2CN2CCNCC2)cc1
InChIInChI=1S/C27H28ClN3O2/c28-24-11-9-22(10-12-24)26-19-31(27(32)33-26)17-20-5-7-21(8-6-20)25-4-2-1-3-23(25)18-30-15-13-29-14-16-30/h1-12,26,29H,13-19H2/t26-/m0/s1
InChIKeyUXFQMCRPNNHGJS-SANMLTNESA-N
MW461.99 g/mol
LogP5.11
Rot. Bonds6

About (5R)-5-(4-chlorophenyl)-3-[[4-[2-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one

(5R)-5-(4-chlorophenyl)-3-[[4-[2-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 59515473) has the molecular formula C27H28ClN3O2 and a molecular weight of 461.99 g/mol. Its IUPAC name is (5R)-5-(4-chlorophenyl)-3-[[4-[2-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(4-chlorophenyl)-3-[[4-[2-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID59515473
Molecular FormulaC27H28ClN3O2
Molecular Weight461.99 g/mol
Exact Mass461.19
IUPAC Name(5R)-5-(4-chlorophenyl)-3-[[4-[2-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](c2ccc(Cl)cc2)CN1Cc1ccc(-c2ccccc2CN2CCNCC2)cc1
InChIInChI=1S/C27H28ClN3O2/c28-24-11-9-22(10-12-24)26-19-31(27(32)33-26)17-20-5-7-21(8-6-20)25-4-2-1-3-23(25)18-30-15-13-29-14-16-30/h1-12,26,29H,13-19H2/t26-/m0/s1
InChIKeyUXFQMCRPNNHGJS-SANMLTNESA-N
XLogP5.11
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.99
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-chlorophenyl)-3-[[4-[2-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(4-chlorophenyl)-3-[[4-[2-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one (CID 59515473) is (5R)-5-(4-chlorophenyl)-3-[[4-[2-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(4-chlorophenyl)-3-[[4-[2-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(4-chlorophenyl)-3-[[4-[2-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one is O=C1O[C@H](c2ccc(Cl)cc2)CN1Cc1ccc(-c2ccccc2CN2CCNCC2)cc1.
What is the InChIKey of (5R)-5-(4-chlorophenyl)-3-[[4-[2-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is UXFQMCRPNNHGJS-SANMLTNESA-N. The full InChI is InChI=1S/C27H28ClN3O2/c28-24-11-9-22(10-12-24)26-19-31(27(32)33-26)17-20-5-7-21(8-6-20)25-4-2-1-3-23(25)18-30-15-13-29-14-16-30/h1-12,26,29H,13-19H2/t26-/m0/s1.
What are the key properties of (5R)-5-(4-chlorophenyl)-3-[[4-[2-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one?
(5R)-5-(4-chlorophenyl)-3-[[4-[2-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 461.99 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-chlorophenyl)-3-[[4-[2-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59515473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).