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

C13H18BrNO2 — CID 82124690

IUPAC[2-(3-bromophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol
SMILESCCCN1CC(CO)OC1c1cccc(Br)c1
InChIInChI=1S/C13H18BrNO2/c1-2-6-15-8-12(9-16)17-13(15)10-4-3-5-11(14)7-10/h3-5,7,12-13,16H,2,6,8-9H2,1H3
InChIKeyGPRBAICKQOWVJN-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.55
Rot. Bonds4

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

[2-(3-bromophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol (PubChem CID 82124690) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is [2-(3-bromophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(3-bromophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol
PubChem CID82124690
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name[2-(3-bromophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol
SMILESCCCN1CC(CO)OC1c1cccc(Br)c1
InChIInChI=1S/C13H18BrNO2/c1-2-6-15-8-12(9-16)17-13(15)10-4-3-5-11(14)7-10/h3-5,7,12-13,16H,2,6,8-9H2,1H3
InChIKeyGPRBAICKQOWVJN-UHFFFAOYSA-N
XLogP2.55
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.55
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-propyl-1,3-oxazolidin-5-yl]methanol?
The IUPAC name of [2-(3-bromophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol (CID 82124690) is [2-(3-bromophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol.
What is the SMILES notation for [2-(3-bromophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol?
The canonical SMILES for [2-(3-bromophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol is CCCN1CC(CO)OC1c1cccc(Br)c1.
What is the InChIKey of [2-(3-bromophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol?
The InChIKey is GPRBAICKQOWVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-2-6-15-8-12(9-16)17-13(15)10-4-3-5-11(14)7-10/h3-5,7,12-13,16H,2,6,8-9H2,1H3.
What are the key properties of [2-(3-bromophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol?
[2-(3-bromophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol has a molecular weight of 300.20 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol is sourced from PubChem (CID 82124690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).