(4S)-3-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide

C18H22N4O4 — CID 50851166

IUPAC(4S)-3-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESN#Cc1ccc(CN2C(=O)OC[C@H]2C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C18H22N4O4/c19-11-14-1-3-15(4-2-14)12-22-16(13-26-18(22)24)17(23)20-5-6-21-7-9-25-10-8-21/h1-4,16H,5-10,12-13H2,(H,20,23)/t16-/m0/s1
InChIKeyGTYLWAJDHLRIMT-INIZCTEOSA-N
MW358.40 g/mol
LogP0.33
Rot. Bonds6

About (4S)-3-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide

(4S)-3-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 50851166) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is (4S)-3-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID50851166
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name(4S)-3-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESN#Cc1ccc(CN2C(=O)OC[C@H]2C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C18H22N4O4/c19-11-14-1-3-15(4-2-14)12-22-16(13-26-18(22)24)17(23)20-5-6-21-7-9-25-10-8-21/h1-4,16H,5-10,12-13H2,(H,20,23)/t16-/m0/s1
InChIKeyGTYLWAJDHLRIMT-INIZCTEOSA-N
XLogP0.33
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[(4S)-4-(2-morpholin-4-ylethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate
CID 50851333
(4S)-N-(2-morpholin-4-ylethyl)-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851360
(4S)-3-[(4-cyanophenyl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851488
(4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851423
1-N-(4-cyanophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133953
4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile
CID 24724224
1-(1,3-benzodioxol-5-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 91955471
1-N'-(4-cyanophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973717
2-benzyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
CID 91919767
6-N-(4-cyanophenyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096501
5-[1-[(4-cyanophenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 155555076
(2S)-1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 92696544

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-3-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 50851166) is (4S)-3-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide is N#Cc1ccc(CN2C(=O)OC[C@H]2C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of (4S)-3-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is GTYLWAJDHLRIMT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N4O4/c19-11-14-1-3-15(4-2-14)12-22-16(13-26-18(22)24)17(23)20-5-6-21-7-9-25-10-8-21/h1-4,16H,5-10,12-13H2,(H,20,23)/t16-/m0/s1.
What are the key properties of (4S)-3-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S)-3-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).