(5S)-3-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one

C10H11BrN2O3 — CID 70050434

IUPAC(5S)-3-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOC[C@@H]1CN(c2ccc(Br)cn2)C(=O)O1
InChIInChI=1S/C10H11BrN2O3/c1-15-6-8-5-13(10(14)16-8)9-3-2-7(11)4-12-9/h2-4,8H,5-6H2,1H3/t8-/m0/s1
InChIKeyNBXIDXXNWNAKOW-QMMMGPOBSA-N
MW287.11 g/mol
LogP1.82
Rot. Bonds3

About (5S)-3-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one

(5S)-3-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 70050434) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is (5S)-3-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
PubChem CID70050434
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name(5S)-3-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOC[C@@H]1CN(c2ccc(Br)cn2)C(=O)O1
InChIInChI=1S/C10H11BrN2O3/c1-15-6-8-5-13(10(14)16-8)9-3-2-7(11)4-12-9/h2-4,8H,5-6H2,1H3/t8-/m0/s1
InChIKeyNBXIDXXNWNAKOW-QMMMGPOBSA-N
XLogP1.82
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one (CID 70050434) is (5S)-3-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one is COC[C@@H]1CN(c2ccc(Br)cn2)C(=O)O1.
What is the InChIKey of (5S)-3-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is NBXIDXXNWNAKOW-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-15-6-8-5-13(10(14)16-8)9-3-2-7(11)4-12-9/h2-4,8H,5-6H2,1H3/t8-/m0/s1.
What are the key properties of (5S)-3-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one?
(5S)-3-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 287.11 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 70050434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).