methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-(2-methoxy-2-oxoethyl)phenyl]acetate

C23H23N3O6 — CID 19356352

IUPACmethyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-(2-methoxy-2-oxoethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(NCC2CN(c3ccc(C#N)cc3)C(=O)O2)cc1CC(=O)OC
InChIInChI=1S/C23H23N3O6/c1-30-21(27)10-16-5-6-18(9-17(16)11-22(28)31-2)25-13-20-14-26(23(29)32-20)19-7-3-15(12-24)4-8-19/h3-9,20,25H,10-11,13-14H2,1-2H3
InChIKeyMRVYWVBJPNWHEK-UHFFFAOYSA-N
MW437.45 g/mol
LogP2.43
Rot. Bonds8

About methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-(2-methoxy-2-oxoethyl)phenyl]acetate

methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-(2-methoxy-2-oxoethyl)phenyl]acetate (PubChem CID 19356352) has the molecular formula C23H23N3O6 and a molecular weight of 437.45 g/mol. Its IUPAC name is methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-(2-methoxy-2-oxoethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-(2-methoxy-2-oxoethyl)phenyl]acetate
PubChem CID19356352
Molecular FormulaC23H23N3O6
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC Namemethyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-(2-methoxy-2-oxoethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(NCC2CN(c3ccc(C#N)cc3)C(=O)O2)cc1CC(=O)OC
InChIInChI=1S/C23H23N3O6/c1-30-21(27)10-16-5-6-18(9-17(16)11-22(28)31-2)25-13-20-14-26(23(29)32-20)19-7-3-15(12-24)4-8-19/h3-9,20,25H,10-11,13-14H2,1-2H3
InChIKeyMRVYWVBJPNWHEK-UHFFFAOYSA-N
XLogP2.43
TPSA117.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-(2-methoxy-2-oxoethyl)phenyl]acetate with MolForge

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Related Compounds

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
N-[[3-[4-(4-cyanophenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69098886
ethyl 4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-2-carboxylate
CID 19439162
5-chloro-N-[[(5S)-3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,3-dihydrothiophene-2-carboxamide
CID 70251391
[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-(azetidin-3-yloxy)acetate
CID 150287256
tert-butyl 4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]piperidine-1-carboxylate
CID 50992297
4-[2-oxo-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidin-3-yl]benzonitrile
CID 139661686
5-(hydroxymethyl)-3-[4-(methoxyamino)phenyl]-1,3-oxazolidin-2-one
CID 143663891
N-[[(5S)-3-[4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 638803
N-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methylpropanamide
CID 16921301
1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 19439069

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-(2-methoxy-2-oxoethyl)phenyl]acetate?
The IUPAC name of methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-(2-methoxy-2-oxoethyl)phenyl]acetate (CID 19356352) is methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-(2-methoxy-2-oxoethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-(2-methoxy-2-oxoethyl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-(2-methoxy-2-oxoethyl)phenyl]acetate is COC(=O)Cc1ccc(NCC2CN(c3ccc(C#N)cc3)C(=O)O2)cc1CC(=O)OC.
What is the InChIKey of methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-(2-methoxy-2-oxoethyl)phenyl]acetate?
The InChIKey is MRVYWVBJPNWHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6/c1-30-21(27)10-16-5-6-18(9-17(16)11-22(28)31-2)25-13-20-14-26(23(29)32-20)19-7-3-15(12-24)4-8-19/h3-9,20,25H,10-11,13-14H2,1-2H3.
What are the key properties of methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-(2-methoxy-2-oxoethyl)phenyl]acetate?
methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-(2-methoxy-2-oxoethyl)phenyl]acetate has a molecular weight of 437.45 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-(2-methoxy-2-oxoethyl)phenyl]acetate is sourced from PubChem (CID 19356352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).