(4S,5S)-4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one

C11H13NO4 — CID 53362228

IUPAC(4S,5S)-4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc([C@@H]2OC(=O)N[C@H]2CO)cc1
InChIInChI=1S/C11H13NO4/c1-15-8-4-2-7(3-5-8)10-9(6-13)12-11(14)16-10/h2-5,9-10,13H,6H2,1H3,(H,12,14)/t9-,10-/m0/s1
InChIKeyPNLGUCIBAZRJFN-UWVGGRQHSA-N
MW223.23 g/mol
LogP0.84
Rot. Bonds3

About (4S,5S)-4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one

(4S,5S)-4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 53362228) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (4S,5S)-4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID53362228
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(4S,5S)-4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc([C@@H]2OC(=O)N[C@H]2CO)cc1
InChIInChI=1S/C11H13NO4/c1-15-8-4-2-7(3-5-8)10-9(6-13)12-11(14)16-10/h2-5,9-10,13H,6H2,1H3,(H,12,14)/t9-,10-/m0/s1
InChIKeyPNLGUCIBAZRJFN-UWVGGRQHSA-N
XLogP0.84
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one (CID 53362228) is (4S,5S)-4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one is COc1ccc([C@@H]2OC(=O)N[C@H]2CO)cc1.
What is the InChIKey of (4S,5S)-4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is PNLGUCIBAZRJFN-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H13NO4/c1-15-8-4-2-7(3-5-8)10-9(6-13)12-11(14)16-10/h2-5,9-10,13H,6H2,1H3,(H,12,14)/t9-,10-/m0/s1.
What are the key properties of (4S,5S)-4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
(4S,5S)-4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 223.23 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(hydroxymethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 53362228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).