benzyl [1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-3-yl] carbonate

C24H25N3O5 — CID 67589610

IUPACbenzyl [1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-3-yl] carbonate
SMILESN#Cc1ccc(N2CC(CN3CCCC(OC(=O)OCc4ccccc4)C3)OC2=O)cc1
InChIInChI=1S/C24H25N3O5/c25-13-18-8-10-20(11-9-18)27-16-22(31-23(27)28)15-26-12-4-7-21(14-26)32-24(29)30-17-19-5-2-1-3-6-19/h1-3,5-6,8-11,21-22H,4,7,12,14-17H2
InChIKeyXURMILOFQNOFMO-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.70
Rot. Bonds6

About benzyl [1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-3-yl] carbonate

benzyl [1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-3-yl] carbonate (PubChem CID 67589610) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is benzyl [1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-3-yl] carbonate.

Molecular Properties

Compound Namebenzyl [1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-3-yl] carbonate
PubChem CID67589610
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Namebenzyl [1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-3-yl] carbonate
SMILESN#Cc1ccc(N2CC(CN3CCCC(OC(=O)OCc4ccccc4)C3)OC2=O)cc1
InChIInChI=1S/C24H25N3O5/c25-13-18-8-10-20(11-9-18)27-16-22(31-23(27)28)15-26-12-4-7-21(14-26)32-24(29)30-17-19-5-2-1-3-6-19/h1-3,5-6,8-11,21-22H,4,7,12,14-17H2
InChIKeyXURMILOFQNOFMO-UHFFFAOYSA-N
XLogP3.70
TPSA92.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze benzyl [1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-3-yl] carbonate with MolForge

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Related Compounds

1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 19439069
2-[2-benzyl-1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-3-yl]oxyacetic acid
CID 19439045
2-[1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]azetidin-3-yl]oxyacetic acid;2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetic acid
CID 162220320
ethyl (3R)-1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]piperidine-3-carboxylate
CID 98765968
ethyl 4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-2-carboxylate
CID 19439162
tert-butyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
CID 54276577
N-[4-[1-[[(5R)-2-oxo-3-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]oxyphenyl]acetamide
CID 56630797
tert-butyl 4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]piperidine-1-carboxylate
CID 50992297
(5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 124582958
[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidin-2-yl] hydrogen carbonate
CID 70343630
[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-2-yl] ethyl carbonate
CID 22078378
[1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] tert-butyl carbonate
CID 22078367

Frequently Asked Questions

What is the IUPAC name of benzyl [1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-3-yl] carbonate?
The IUPAC name of benzyl [1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-3-yl] carbonate (CID 67589610) is benzyl [1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-3-yl] carbonate.
What is the SMILES notation for benzyl [1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-3-yl] carbonate?
The canonical SMILES for benzyl [1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-3-yl] carbonate is N#Cc1ccc(N2CC(CN3CCCC(OC(=O)OCc4ccccc4)C3)OC2=O)cc1.
What is the InChIKey of benzyl [1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-3-yl] carbonate?
The InChIKey is XURMILOFQNOFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c25-13-18-8-10-20(11-9-18)27-16-22(31-23(27)28)15-26-12-4-7-21(14-26)32-24(29)30-17-19-5-2-1-3-6-19/h1-3,5-6,8-11,21-22H,4,7,12,14-17H2.
What are the key properties of benzyl [1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-3-yl] carbonate?
benzyl [1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-3-yl] carbonate has a molecular weight of 435.48 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl [1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-3-yl] carbonate is sourced from PubChem (CID 67589610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).