[2-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-5-yl]methanol

C12H16BrNO2 — CID 82124365

IUPAC[2-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-5-yl]methanol
SMILESCCN1CC(CO)OC1c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-2-14-7-11(8-15)16-12(14)9-4-3-5-10(13)6-9/h3-6,11-12,15H,2,7-8H2,1H3
InChIKeyJDSDZDHGQLOYOE-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.16
Rot. Bonds3

About [2-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-5-yl]methanol

[2-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-5-yl]methanol (PubChem CID 82124365) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is [2-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-5-yl]methanol
PubChem CID82124365
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name[2-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-5-yl]methanol
SMILESCCN1CC(CO)OC1c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-2-14-7-11(8-15)16-12(14)9-4-3-5-10(13)6-9/h3-6,11-12,15H,2,7-8H2,1H3
InChIKeyJDSDZDHGQLOYOE-UHFFFAOYSA-N
XLogP2.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-5-yl]methanol?
The IUPAC name of [2-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-5-yl]methanol (CID 82124365) is [2-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-5-yl]methanol.
What is the SMILES notation for [2-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-5-yl]methanol?
The canonical SMILES for [2-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-5-yl]methanol is CCN1CC(CO)OC1c1cccc(Br)c1.
What is the InChIKey of [2-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-5-yl]methanol?
The InChIKey is JDSDZDHGQLOYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-2-14-7-11(8-15)16-12(14)9-4-3-5-10(13)6-9/h3-6,11-12,15H,2,7-8H2,1H3.
What are the key properties of [2-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-5-yl]methanol?
[2-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-5-yl]methanol has a molecular weight of 286.17 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-5-yl]methanol is sourced from PubChem (CID 82124365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).