[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-2-yl] ethyl carbonate

C18H26N4O5 — CID 22078378

IUPAC[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-2-yl] ethyl carbonate
SMILESCCOC(=O)OC1CN(CC2CN(c3ccc(CN)cc3)C(=O)O2)CCN1
InChIInChI=1S/C18H26N4O5/c1-2-25-18(24)27-16-12-21(8-7-20-16)10-15-11-22(17(23)26-15)14-5-3-13(9-19)4-6-14/h3-6,15-16,20H,2,7-12,19H2,1H3
InChIKeyBGCFYAQFWQUBMV-UHFFFAOYSA-N
MW378.43 g/mol
LogP0.87
Rot. Bonds6

About [4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-2-yl] ethyl carbonate

[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-2-yl] ethyl carbonate (PubChem CID 22078378) has the molecular formula C18H26N4O5 and a molecular weight of 378.43 g/mol. Its IUPAC name is [4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-2-yl] ethyl carbonate.

Molecular Properties

Compound Name[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-2-yl] ethyl carbonate
PubChem CID22078378
Molecular FormulaC18H26N4O5
Molecular Weight378.43 g/mol
Exact Mass378.19
IUPAC Name[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-2-yl] ethyl carbonate
SMILESCCOC(=O)OC1CN(CC2CN(c3ccc(CN)cc3)C(=O)O2)CCN1
InChIInChI=1S/C18H26N4O5/c1-2-25-18(24)27-16-12-21(8-7-20-16)10-15-11-22(17(23)26-15)14-5-3-13(9-19)4-6-14/h3-6,15-16,20H,2,7-12,19H2,1H3
InChIKeyBGCFYAQFWQUBMV-UHFFFAOYSA-N
XLogP0.87
TPSA106.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-2-yl] ethyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-2-carboxylate
CID 19439162
2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]azetidin-3-yl]oxyacetic acid
CID 19439147
2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]-2-fluoroacetic acid
CID 174311387
ethyl (3R)-1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]piperidine-3-carboxylate
CID 98765968
[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidin-2-yl] hydrogen carbonate
CID 70343630
benzyl [1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-3-yl] carbonate
CID 67589610
[1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] tert-butyl carbonate
CID 22078367
ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate
CID 14809103
1-[[3-[4-[(dimethylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid
CID 19439042
4-[2-oxo-5-(piperazin-1-ylmethyl)-1,3-oxazolidin-3-yl]benzenecarboximidamide
CID 22078396
ethyl 1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-2-carboxylate
CID 151204271
tert-butyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
CID 54276577

Frequently Asked Questions

What is the IUPAC name of [4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-2-yl] ethyl carbonate?
The IUPAC name of [4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-2-yl] ethyl carbonate (CID 22078378) is [4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-2-yl] ethyl carbonate.
What is the SMILES notation for [4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-2-yl] ethyl carbonate?
The canonical SMILES for [4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-2-yl] ethyl carbonate is CCOC(=O)OC1CN(CC2CN(c3ccc(CN)cc3)C(=O)O2)CCN1.
What is the InChIKey of [4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-2-yl] ethyl carbonate?
The InChIKey is BGCFYAQFWQUBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5/c1-2-25-18(24)27-16-12-21(8-7-20-16)10-15-11-22(17(23)26-15)14-5-3-13(9-19)4-6-14/h3-6,15-16,20H,2,7-12,19H2,1H3.
What are the key properties of [4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-2-yl] ethyl carbonate?
[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-2-yl] ethyl carbonate has a molecular weight of 378.43 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-2-yl] ethyl carbonate is sourced from PubChem (CID 22078378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).