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

C25H31N5O5S — CID 58484526

IUPAC(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)OC[C@H]4C)cc3N3CCCS3(=O)=O)CC2)c(C)c1
InChIInChI=1S/C25H31N5O5S/c1-17-13-18(2)23(26-15-17)27-8-10-28(11-9-27)24(31)21-6-5-20(30-19(3)16-35-25(30)32)14-22(21)29-7-4-12-36(29,33)34/h5-6,13-15,19H,4,7-12,16H2,1-3H3/t19-/m1/s1
InChIKeyINWIYZJAEZDLMB-LJQANCHMSA-N
MW513.62 g/mol
LogP2.55
Rot. Bonds4

About (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-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-methyl-1,3-oxazolidin-2-one (PubChem CID 58484526) has the molecular formula C25H31N5O5S and a molecular weight of 513.62 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-methyl-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-methyl-1,3-oxazolidin-2-one
PubChem CID58484526
Molecular FormulaC25H31N5O5S
Molecular Weight513.62 g/mol
Exact Mass513.20
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-methyl-1,3-oxazolidin-2-one
SMILESCc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)OC[C@H]4C)cc3N3CCCS3(=O)=O)CC2)c(C)c1
InChIInChI=1S/C25H31N5O5S/c1-17-13-18(2)23(26-15-17)27-8-10-28(11-9-27)24(31)21-6-5-20(30-19(3)16-35-25(30)32)14-22(21)29-7-4-12-36(29,33)34/h5-6,13-15,19H,4,7-12,16H2,1-3H3/t19-/m1/s1
InChIKeyINWIYZJAEZDLMB-LJQANCHMSA-N
XLogP2.55
TPSA103.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.62
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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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-methyl-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-methyl-1,3-oxazolidin-2-one (CID 58484526) is (4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-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-methyl-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-methyl-1,3-oxazolidin-2-one is Cc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)OC[C@H]4C)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-methyl-1,3-oxazolidin-2-one?
The InChIKey is INWIYZJAEZDLMB-LJQANCHMSA-N. The full InChI is InChI=1S/C25H31N5O5S/c1-17-13-18(2)23(26-15-17)27-8-10-28(11-9-27)24(31)21-6-5-20(30-19(3)16-35-25(30)32)14-22(21)29-7-4-12-36(29,33)34/h5-6,13-15,19H,4,7-12,16H2,1-3H3/t19-/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-methyl-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-methyl-1,3-oxazolidin-2-one has a molecular weight of 513.62 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 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-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58484526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).