5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one

C19H25N5O5S — CID 57250790

IUPAC5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
SMILESCCS(=O)(=O)N1CCN(CC2CN(c3ccc(-c4noc(C)n4)cc3)C(=O)O2)CC1
InChIInChI=1S/C19H25N5O5S/c1-3-30(26,27)23-10-8-22(9-11-23)12-17-13-24(19(25)28-17)16-6-4-15(5-7-16)18-20-14(2)29-21-18/h4-7,17H,3,8-13H2,1-2H3
InChIKeyFRBLUSGEQCIWFU-UHFFFAOYSA-N
MW435.51 g/mol
LogP1.34
Rot. Bonds6

About 5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one

5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 57250790) has the molecular formula C19H25N5O5S and a molecular weight of 435.51 g/mol. Its IUPAC name is 5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
PubChem CID57250790
Molecular FormulaC19H25N5O5S
Molecular Weight435.51 g/mol
Exact Mass435.16
IUPAC Name5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
SMILESCCS(=O)(=O)N1CCN(CC2CN(c3ccc(-c4noc(C)n4)cc3)C(=O)O2)CC1
InChIInChI=1S/C19H25N5O5S/c1-3-30(26,27)23-10-8-22(9-11-23)12-17-13-24(19(25)28-17)16-6-4-15(5-7-16)18-20-14(2)29-21-18/h4-7,17H,3,8-13H2,1-2H3
InChIKeyFRBLUSGEQCIWFU-UHFFFAOYSA-N
XLogP1.34
TPSA109.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one (CID 57250790) is 5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one is CCS(=O)(=O)N1CCN(CC2CN(c3ccc(-c4noc(C)n4)cc3)C(=O)O2)CC1.
What is the InChIKey of 5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is FRBLUSGEQCIWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O5S/c1-3-30(26,27)23-10-8-22(9-11-23)12-17-13-24(19(25)28-17)16-6-4-15(5-7-16)18-20-14(2)29-21-18/h4-7,17H,3,8-13H2,1-2H3.
What are the key properties of 5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one?
5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 435.51 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 57250790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).