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

C17H17N3O4 — CID 50851294

IUPAC(4S)-3-[(3-hydroxyphenyl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)-1,3-oxazolidine-4-carboxamide
SMILESO=C(NCc1ccncc1)[C@@H]1COC(=O)N1Cc1cccc(O)c1
InChIInChI=1S/C17H17N3O4/c21-14-3-1-2-13(8-14)10-20-15(11-24-17(20)23)16(22)19-9-12-4-6-18-7-5-12/h1-8,15,21H,9-11H2,(H,19,22)/t15-/m0/s1
InChIKeyZZYDMDQWIZGBST-HNNXBMFYSA-N
MW327.34 g/mol
LogP1.42
Rot. Bonds5

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

(4S)-3-[(3-hydroxyphenyl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 50851294) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is (4S)-3-[(3-hydroxyphenyl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-[(3-hydroxyphenyl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)-1,3-oxazolidine-4-carboxamide
PubChem CID50851294
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name(4S)-3-[(3-hydroxyphenyl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)-1,3-oxazolidine-4-carboxamide
SMILESO=C(NCc1ccncc1)[C@@H]1COC(=O)N1Cc1cccc(O)c1
InChIInChI=1S/C17H17N3O4/c21-14-3-1-2-13(8-14)10-20-15(11-24-17(20)23)16(22)19-9-12-4-6-18-7-5-12/h1-8,15,21H,9-11H2,(H,19,22)/t15-/m0/s1
InChIKeyZZYDMDQWIZGBST-HNNXBMFYSA-N
XLogP1.42
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3-hydroxyphenyl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-3-[(3-hydroxyphenyl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)-1,3-oxazolidine-4-carboxamide (CID 50851294) is (4S)-3-[(3-hydroxyphenyl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-[(3-hydroxyphenyl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-[(3-hydroxyphenyl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)-1,3-oxazolidine-4-carboxamide is O=C(NCc1ccncc1)[C@@H]1COC(=O)N1Cc1cccc(O)c1.
What is the InChIKey of (4S)-3-[(3-hydroxyphenyl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The InChIKey is ZZYDMDQWIZGBST-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17N3O4/c21-14-3-1-2-13(8-14)10-20-15(11-24-17(20)23)16(22)19-9-12-4-6-18-7-5-12/h1-8,15,21H,9-11H2,(H,19,22)/t15-/m0/s1.
What are the key properties of (4S)-3-[(3-hydroxyphenyl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)-1,3-oxazolidine-4-carboxamide?
(4S)-3-[(3-hydroxyphenyl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3-hydroxyphenyl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).