N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide

C22H20N4O6 — CID 140562888

IUPACN-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide
SMILESN#Cc1ccc(NC(=O)C(O)[C@H]2OCCN(c3ccc(N4CCOC4=O)cc3)C2=O)cc1
InChIInChI=1S/C22H20N4O6/c23-13-14-1-3-15(4-2-14)24-20(28)18(27)19-21(29)25(9-11-31-19)16-5-7-17(8-6-16)26-10-12-32-22(26)30/h1-8,18-19,27H,9-12H2,(H,24,28)/t18?,19-/m1/s1
InChIKeyUOOWUPMVHJPWBO-MUMRKEEXSA-N
MW436.42 g/mol
LogP1.25
Rot. Bonds5

About N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide

N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide (PubChem CID 140562888) has the molecular formula C22H20N4O6 and a molecular weight of 436.42 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide
PubChem CID140562888
Molecular FormulaC22H20N4O6
Molecular Weight436.42 g/mol
Exact Mass436.14
IUPAC NameN-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide
SMILESN#Cc1ccc(NC(=O)C(O)[C@H]2OCCN(c3ccc(N4CCOC4=O)cc3)C2=O)cc1
InChIInChI=1S/C22H20N4O6/c23-13-14-1-3-15(4-2-14)24-20(28)18(27)19-21(29)25(9-11-31-19)16-5-7-17(8-6-16)26-10-12-32-22(26)30/h1-8,18-19,27H,9-12H2,(H,24,28)/t18?,19-/m1/s1
InChIKeyUOOWUPMVHJPWBO-MUMRKEEXSA-N
XLogP1.25
TPSA132.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide (CID 140562888) is N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide is N#Cc1ccc(NC(=O)C(O)[C@H]2OCCN(c3ccc(N4CCOC4=O)cc3)C2=O)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide?
The InChIKey is UOOWUPMVHJPWBO-MUMRKEEXSA-N. The full InChI is InChI=1S/C22H20N4O6/c23-13-14-1-3-15(4-2-14)24-20(28)18(27)19-21(29)25(9-11-31-19)16-5-7-17(8-6-16)26-10-12-32-22(26)30/h1-8,18-19,27H,9-12H2,(H,24,28)/t18?,19-/m1/s1.
What are the key properties of N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide?
N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide has a molecular weight of 436.42 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide is sourced from PubChem (CID 140562888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).