(4R)-3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-ethyl-1,3-oxazolidin-2-one

C28H34N4O5S — CID 67381179

IUPAC(4R)-3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@@H]1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C4CC4)cc3C3CC3)CC2)c(S(C)(=O)=O)c1
InChIInChI=1S/C28H34N4O5S/c1-3-21-17-37-28(34)32(21)22-8-9-23(25(15-22)38(2,35)36)27(33)31-12-10-30(11-13-31)26-24(19-6-7-19)14-20(16-29-26)18-4-5-18/h8-9,14-16,18-19,21H,3-7,10-13,17H2,1-2H3/t21-/m1/s1
InChIKeyCLWJSUGXCPIHLU-OAQYLSRUSA-N
MW538.67 g/mol
LogP3.94
Rot. Bonds7

About (4R)-3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-ethyl-1,3-oxazolidin-2-one

(4R)-3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-ethyl-1,3-oxazolidin-2-one (PubChem CID 67381179) has the molecular formula C28H34N4O5S and a molecular weight of 538.67 g/mol. Its IUPAC name is (4R)-3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-ethyl-1,3-oxazolidin-2-one
PubChem CID67381179
Molecular FormulaC28H34N4O5S
Molecular Weight538.67 g/mol
Exact Mass538.22
IUPAC Name(4R)-3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@@H]1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C4CC4)cc3C3CC3)CC2)c(S(C)(=O)=O)c1
InChIInChI=1S/C28H34N4O5S/c1-3-21-17-37-28(34)32(21)22-8-9-23(25(15-22)38(2,35)36)27(33)31-12-10-30(11-13-31)26-24(19-6-7-19)14-20(16-29-26)18-4-5-18/h8-9,14-16,18-19,21H,3-7,10-13,17H2,1-2H3/t21-/m1/s1
InChIKeyCLWJSUGXCPIHLU-OAQYLSRUSA-N
XLogP3.94
TPSA100.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.67
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4R)-3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-ethyl-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-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-ethyl-1,3-oxazolidin-2-one (CID 67381179) is (4R)-3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-ethyl-1,3-oxazolidin-2-one is CC[C@@H]1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C4CC4)cc3C3CC3)CC2)c(S(C)(=O)=O)c1.
What is the InChIKey of (4R)-3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-ethyl-1,3-oxazolidin-2-one?
The InChIKey is CLWJSUGXCPIHLU-OAQYLSRUSA-N. The full InChI is InChI=1S/C28H34N4O5S/c1-3-21-17-37-28(34)32(21)22-8-9-23(25(15-22)38(2,35)36)27(33)31-12-10-30(11-13-31)26-24(19-6-7-19)14-20(16-29-26)18-4-5-18/h8-9,14-16,18-19,21H,3-7,10-13,17H2,1-2H3/t21-/m1/s1.
What are the key properties of (4R)-3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-ethyl-1,3-oxazolidin-2-one?
(4R)-3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-ethyl-1,3-oxazolidin-2-one has a molecular weight of 538.67 g/mol, XLogP of 3.94, 7 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-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67381179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).