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

C20H19N3O4 — CID 50851221

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

IUPAC(4S)-3-[(3-cyanophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@H]1COC(=O)N1Cc1cccc(C#N)c1
InChIInChI=1S/C20H19N3O4/c1-26-18-8-3-2-7-16(18)11-22-19(24)17-13-27-20(25)23(17)12-15-6-4-5-14(9-15)10-21/h2-9,17H,11-13H2,1H3,(H,22,24)/t17-/m0/s1
InChIKeyVPWKMPUKHOPANU-KRWDZBQOSA-N
MW365.39 g/mol
LogP2.20
Rot. Bonds6

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

(4S)-3-[(3-cyanophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 50851221) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (4S)-3-[(3-cyanophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-[(3-cyanophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID50851221
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(4S)-3-[(3-cyanophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@H]1COC(=O)N1Cc1cccc(C#N)c1
InChIInChI=1S/C20H19N3O4/c1-26-18-8-3-2-7-16(18)11-22-19(24)17-13-27-20(25)23(17)12-15-6-4-5-14(9-15)10-21/h2-9,17H,11-13H2,1H3,(H,22,24)/t17-/m0/s1
InChIKeyVPWKMPUKHOPANU-KRWDZBQOSA-N
XLogP2.20
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3-cyanophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-3-[(3-cyanophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 50851221) is (4S)-3-[(3-cyanophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-[(3-cyanophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-[(3-cyanophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is COc1ccccc1CNC(=O)[C@@H]1COC(=O)N1Cc1cccc(C#N)c1.
What is the InChIKey of (4S)-3-[(3-cyanophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is VPWKMPUKHOPANU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-26-18-8-3-2-7-16(18)11-22-19(24)17-13-27-20(25)23(17)12-15-6-4-5-14(9-15)10-21/h2-9,17H,11-13H2,1H3,(H,22,24)/t17-/m0/s1.
What are the key properties of (4S)-3-[(3-cyanophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S)-3-[(3-cyanophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3-cyanophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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