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

C18H19N3O4 — CID 50851331

IUPAC(4S)-3-[(3-methoxyphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
SMILESCOc1cccc(CN2C(=O)OC[C@H]2C(=O)NCc2ccccn2)c1
InChIInChI=1S/C18H19N3O4/c1-24-15-7-4-5-13(9-15)11-21-16(12-25-18(21)23)17(22)20-10-14-6-2-3-8-19-14/h2-9,16H,10-12H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyYPKJLCFTDIHRHU-INIZCTEOSA-N
MW341.37 g/mol
LogP1.73
Rot. Bonds6

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

(4S)-3-[(3-methoxyphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 50851331) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is (4S)-3-[(3-methoxyphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-[(3-methoxyphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
PubChem CID50851331
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name(4S)-3-[(3-methoxyphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
SMILESCOc1cccc(CN2C(=O)OC[C@H]2C(=O)NCc2ccccn2)c1
InChIInChI=1S/C18H19N3O4/c1-24-15-7-4-5-13(9-15)11-21-16(12-25-18(21)23)17(22)20-10-14-6-2-3-8-19-14/h2-9,16H,10-12H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyYPKJLCFTDIHRHU-INIZCTEOSA-N
XLogP1.73
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851281
4-[[(4S)-2-oxo-4-(pyridin-2-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoic acid
CID 50851250
(4S)-3-[(3-methoxyphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851942
methyl 4-[[(4S)-4-[(3-methoxyphenyl)methylcarbamoyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate
CID 50851178
3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 82481104
(4S)-N-(2-methoxyethyl)-2-oxo-3-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851159
(4S)-3-[(3-methoxyphenyl)methyl]-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851931
(4S)-N-[(3,5-dimethoxyphenyl)methyl]-2-oxo-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851621
methyl 3-[[(4S)-2-oxo-4-(pyridin-4-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoate
CID 50851275
(4S)-3-[(4-methoxyphenyl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851251
4-[[(4S)-4-[(3,5-dimethoxyphenyl)methylcarbamoyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoic acid
CID 50851613
3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 31100473

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3-methoxyphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-3-[(3-methoxyphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide (CID 50851331) is (4S)-3-[(3-methoxyphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-[(3-methoxyphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-[(3-methoxyphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide is COc1cccc(CN2C(=O)OC[C@H]2C(=O)NCc2ccccn2)c1.
What is the InChIKey of (4S)-3-[(3-methoxyphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The InChIKey is YPKJLCFTDIHRHU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-24-15-7-4-5-13(9-15)11-21-16(12-25-18(21)23)17(22)20-10-14-6-2-3-8-19-14/h2-9,16H,10-12H2,1H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (4S)-3-[(3-methoxyphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
(4S)-3-[(3-methoxyphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3-methoxyphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).