[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-(azetidin-3-yloxy)acetate

C16H17N3O5 — CID 150287256

IUPAC[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-(azetidin-3-yloxy)acetate
SMILESN#Cc1ccc(N2CC(COC(=O)COC3CNC3)OC2=O)cc1
InChIInChI=1S/C16H17N3O5/c17-5-11-1-3-12(4-2-11)19-8-14(24-16(19)21)9-23-15(20)10-22-13-6-18-7-13/h1-4,13-14,18H,6-10H2
InChIKeyGGVKALHTGDGYHI-UHFFFAOYSA-N
MW331.33 g/mol
LogP0.42
Rot. Bonds6

About [3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-(azetidin-3-yloxy)acetate

[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-(azetidin-3-yloxy)acetate (PubChem CID 150287256) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is [3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-(azetidin-3-yloxy)acetate.

Molecular Properties

Compound Name[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-(azetidin-3-yloxy)acetate
PubChem CID150287256
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-(azetidin-3-yloxy)acetate
SMILESN#Cc1ccc(N2CC(COC(=O)COC3CNC3)OC2=O)cc1
InChIInChI=1S/C16H17N3O5/c17-5-11-1-3-12(4-2-11)19-8-14(24-16(19)21)9-23-15(20)10-22-13-6-18-7-13/h1-4,13-14,18H,6-10H2
InChIKeyGGVKALHTGDGYHI-UHFFFAOYSA-N
XLogP0.42
TPSA100.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
tert-butyl 4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]piperidine-1-carboxylate
CID 50992297
ethyl 4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-2-carboxylate
CID 19439162
1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 19439069
4-[2-oxo-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzonitrile
CID 139661686
methyl 2-[3-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]thiophen-2-yl]acetate
CID 19356331
tert-butyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
CID 54276577
methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356352
2-[2-benzyl-1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-3-yl]oxyacetic acid
CID 19439045
5-chloro-N-[[(5S)-3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,3-dihydrothiophene-2-carboxamide
CID 70251391
[(5S)-3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl N-(4-chlorophenyl)carbamate
CID 28562053
benzyl [1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-3-yl] carbonate
CID 67589610

Frequently Asked Questions

What is the IUPAC name of [3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-(azetidin-3-yloxy)acetate?
The IUPAC name of [3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-(azetidin-3-yloxy)acetate (CID 150287256) is [3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-(azetidin-3-yloxy)acetate.
What is the SMILES notation for [3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-(azetidin-3-yloxy)acetate?
The canonical SMILES for [3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-(azetidin-3-yloxy)acetate is N#Cc1ccc(N2CC(COC(=O)COC3CNC3)OC2=O)cc1.
What is the InChIKey of [3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-(azetidin-3-yloxy)acetate?
The InChIKey is GGVKALHTGDGYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c17-5-11-1-3-12(4-2-11)19-8-14(24-16(19)21)9-23-15(20)10-22-13-6-18-7-13/h1-4,13-14,18H,6-10H2.
What are the key properties of [3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-(azetidin-3-yloxy)acetate?
[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-(azetidin-3-yloxy)acetate has a molecular weight of 331.33 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-(azetidin-3-yloxy)acetate is sourced from PubChem (CID 150287256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).