(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one

C25H31N5O6S — CID 58484644

IUPAC(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)OC[C@H]4CO)cc3N3CCCS3(=O)=O)CC2)c(C)c1
InChIInChI=1S/C25H31N5O6S/c1-17-12-18(2)23(26-14-17)27-7-9-28(10-8-27)24(32)21-5-4-19(30-20(15-31)16-36-25(30)33)13-22(21)29-6-3-11-37(29,34)35/h4-5,12-14,20,31H,3,6-11,15-16H2,1-2H3/t20-/m1/s1
InChIKeyJOOMGNJPORFNPS-HXUWFJFHSA-N
MW529.62 g/mol
LogP1.52
Rot. Bonds5

About (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one

(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 58484644) has the molecular formula C25H31N5O6S and a molecular weight of 529.62 g/mol. Its IUPAC name is (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID58484644
Molecular FormulaC25H31N5O6S
Molecular Weight529.62 g/mol
Exact Mass529.20
IUPAC Name(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)OC[C@H]4CO)cc3N3CCCS3(=O)=O)CC2)c(C)c1
InChIInChI=1S/C25H31N5O6S/c1-17-12-18(2)23(26-14-17)27-7-9-28(10-8-27)24(32)21-5-4-19(30-20(15-31)16-36-25(30)33)13-22(21)29-6-3-11-37(29,34)35/h4-5,12-14,20,31H,3,6-11,15-16H2,1-2H3/t20-/m1/s1
InChIKeyJOOMGNJPORFNPS-HXUWFJFHSA-N
XLogP1.52
TPSA123.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.62
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one 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 (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 58484644) is (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one is Cc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)OC[C@H]4CO)cc3N3CCCS3(=O)=O)CC2)c(C)c1.
What is the InChIKey of (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is JOOMGNJPORFNPS-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H31N5O6S/c1-17-12-18(2)23(26-14-17)27-7-9-28(10-8-27)24(32)21-5-4-19(30-20(15-31)16-36-25(30)33)13-22(21)29-6-3-11-37(29,34)35/h4-5,12-14,20,31H,3,6-11,15-16H2,1-2H3/t20-/m1/s1.
What are the key properties of (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 529.62 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 58484644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).