(5R)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one;(5S)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one

C16H20N4O6 — CID 56682933

IUPAC(5R)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one;(5S)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CO)CN1n1cccc1.O=C1O[C@H](CO)CN1n1cccc1
InChIInChI=1S/2C8H10N2O3/c2*11-6-7-5-10(8(12)13-7)9-3-1-2-4-9/h2*1-4,7,11H,5-6H2/t2*7-/m10/s1
InChIKeyRUSIVZOKAFUGGA-UNLCMTKJSA-N
MW364.36 g/mol
LogP-0.13
Rot. Bonds4

About (5R)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one;(5S)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one

(5R)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one;(5S)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one (PubChem CID 56682933) has the molecular formula C16H20N4O6 and a molecular weight of 364.36 g/mol. Its IUPAC name is (5R)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one;(5S)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one;(5S)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one
PubChem CID56682933
Molecular FormulaC16H20N4O6
Molecular Weight364.36 g/mol
Exact Mass364.14
IUPAC Name(5R)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one;(5S)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CO)CN1n1cccc1.O=C1O[C@H](CO)CN1n1cccc1
InChIInChI=1S/2C8H10N2O3/c2*11-6-7-5-10(8(12)13-7)9-3-1-2-4-9/h2*1-4,7,11H,5-6H2/t2*7-/m10/s1
InChIKeyRUSIVZOKAFUGGA-UNLCMTKJSA-N
XLogP-0.13
TPSA109.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one;(5S)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one;(5S)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one (CID 56682933) is (5R)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one;(5S)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one;(5S)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one;(5S)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one is O=C1O[C@@H](CO)CN1n1cccc1.O=C1O[C@H](CO)CN1n1cccc1.
What is the InChIKey of (5R)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one;(5S)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one?
The InChIKey is RUSIVZOKAFUGGA-UNLCMTKJSA-N. The full InChI is InChI=1S/2C8H10N2O3/c2*11-6-7-5-10(8(12)13-7)9-3-1-2-4-9/h2*1-4,7,11H,5-6H2/t2*7-/m10/s1.
What are the key properties of (5R)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one;(5S)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one?
(5R)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one;(5S)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one has a molecular weight of 364.36 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one;(5S)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 56682933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).