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

C18H16N4O3 — CID 50851423

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
SMILESN#Cc1ccc(CN2C(=O)OC[C@H]2C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C18H16N4O3/c19-8-13-3-5-14(6-4-13)11-22-16(12-25-18(22)24)17(23)21-10-15-2-1-7-20-9-15/h1-7,9,16H,10-12H2,(H,21,23)/t16-/m0/s1
InChIKeyHTJPWIQRZXLUSC-INIZCTEOSA-N
MW336.35 g/mol
LogP1.59
Rot. Bonds5

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

(4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 50851423) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is (4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
PubChem CID50851423
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name(4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
SMILESN#Cc1ccc(CN2C(=O)OC[C@H]2C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C18H16N4O3/c19-8-13-3-5-14(6-4-13)11-22-16(12-25-18(22)24)17(23)21-10-15-2-1-7-20-9-15/h1-7,9,16H,10-12H2,(H,21,23)/t16-/m0/s1
InChIKeyHTJPWIQRZXLUSC-INIZCTEOSA-N
XLogP1.59
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide (CID 50851423) is (4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide is N#Cc1ccc(CN2C(=O)OC[C@H]2C(=O)NCc2cccnc2)cc1.
What is the InChIKey of (4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The InChIKey is HTJPWIQRZXLUSC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16N4O3/c19-8-13-3-5-14(6-4-13)11-22-16(12-25-18(22)24)17(23)21-10-15-2-1-7-20-9-15/h1-7,9,16H,10-12H2,(H,21,23)/t16-/m0/s1.
What are the key properties of (4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide?
(4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 1.59, 5 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-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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