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

C19H18N4O3 — CID 50851690

IUPAC(4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide
SMILESN#Cc1ccc(CN2C(=O)OC[C@H]2C(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C19H18N4O3/c20-11-14-4-6-15(7-5-14)12-23-17(13-26-19(23)25)18(24)22-10-8-16-3-1-2-9-21-16/h1-7,9,17H,8,10,12-13H2,(H,22,24)/t17-/m0/s1
InChIKeyYSBYVMMAHWMFLK-KRWDZBQOSA-N
MW350.38 g/mol
LogP1.63
Rot. Bonds6

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

(4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 50851690) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is (4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide
PubChem CID50851690
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name(4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide
SMILESN#Cc1ccc(CN2C(=O)OC[C@H]2C(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C19H18N4O3/c20-11-14-4-6-15(7-5-14)12-23-17(13-26-19(23)25)18(24)22-10-8-16-3-1-2-9-21-16/h1-7,9,17H,8,10,12-13H2,(H,22,24)/t17-/m0/s1
InChIKeyYSBYVMMAHWMFLK-KRWDZBQOSA-N
XLogP1.63
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide
CID 50851673
4-[[(4S)-2-oxo-4-(pyridin-2-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoic acid
CID 50851250
(4S)-3-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851166
(4S)-N-(2-methoxyethyl)-2-oxo-3-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851159
(4S)-3-[(4-cyanophenyl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851488
(4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851924
(4S)-3-[(3-methoxyphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851331
(4S)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-N-(2-pyridin-3-ylethyl)-1,3-oxazolidine-4-carboxamide
CID 50851650
(4S)-3-[(3-cyanophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851221
(4S)-N-(3-amino-3-oxopropyl)-2-oxo-3-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851590
(3S)-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 18665730
N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride
CID 119827893

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide (CID 50851690) is (4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide is N#Cc1ccc(CN2C(=O)OC[C@H]2C(=O)NCCc2ccccn2)cc1.
What is the InChIKey of (4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide?
The InChIKey is YSBYVMMAHWMFLK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18N4O3/c20-11-14-4-6-15(7-5-14)12-23-17(13-26-19(23)25)18(24)22-10-8-16-3-1-2-9-21-16/h1-7,9,17H,8,10,12-13H2,(H,22,24)/t17-/m0/s1.
What are the key properties of (4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide?
(4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).