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

C16H21N3O5 — CID 70343630

IUPAC[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidin-2-yl] hydrogen carbonate
SMILESNCc1ccc(N2CC(CN3CCCC3OC(=O)O)OC2=O)cc1
InChIInChI=1S/C16H21N3O5/c17-8-11-3-5-12(6-4-11)19-10-13(23-15(19)20)9-18-7-1-2-14(18)24-16(21)22/h3-6,13-14H,1-2,7-10,17H2,(H,21,22)
InChIKeyUCCIWTNIQPGAPZ-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.59
Rot. Bonds5

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

[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidin-2-yl] hydrogen carbonate (PubChem CID 70343630) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is [1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidin-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidin-2-yl] hydrogen carbonate
PubChem CID70343630
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Name[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidin-2-yl] hydrogen carbonate
SMILESNCc1ccc(N2CC(CN3CCCC3OC(=O)O)OC2=O)cc1
InChIInChI=1S/C16H21N3O5/c17-8-11-3-5-12(6-4-11)19-10-13(23-15(19)20)9-18-7-1-2-14(18)24-16(21)22/h3-6,13-14H,1-2,7-10,17H2,(H,21,22)
InChIKeyUCCIWTNIQPGAPZ-UHFFFAOYSA-N
XLogP1.59
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]azetidin-3-yl]oxyacetic acid
CID 19439147
1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 19439069
2-[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]-2-fluoroacetic acid
CID 174311387
[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-2-yl] ethyl carbonate
CID 22078378
ethyl 1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-2-carboxylate
CID 151204271
2-[2-benzyl-1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-3-yl]oxyacetic acid
CID 19439045
2-[4-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-3-yl]acetic acid
CID 57056399
benzyl [1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-3-yl] carbonate
CID 67589610
5-[(2-benzylpiperidin-1-yl)methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 14368948
ethyl (3R)-1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]piperidine-3-carboxylate
CID 98765968
1-[[3-[4-[(dimethylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid
CID 19439042
4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid
CID 117063705

Frequently Asked Questions

What is the IUPAC name of [1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidin-2-yl] hydrogen carbonate?
The IUPAC name of [1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidin-2-yl] hydrogen carbonate (CID 70343630) is [1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidin-2-yl] hydrogen carbonate.
What is the SMILES notation for [1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidin-2-yl] hydrogen carbonate?
The canonical SMILES for [1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidin-2-yl] hydrogen carbonate is NCc1ccc(N2CC(CN3CCCC3OC(=O)O)OC2=O)cc1.
What is the InChIKey of [1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidin-2-yl] hydrogen carbonate?
The InChIKey is UCCIWTNIQPGAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c17-8-11-3-5-12(6-4-11)19-10-13(23-15(19)20)9-18-7-1-2-14(18)24-16(21)22/h3-6,13-14H,1-2,7-10,17H2,(H,21,22).
What are the key properties of [1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidin-2-yl] hydrogen carbonate?
[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidin-2-yl] hydrogen carbonate has a molecular weight of 335.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidin-2-yl] hydrogen carbonate is sourced from PubChem (CID 70343630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).