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

C14H20BrNO2 — CID 82125010

IUPAC[2-(3-bromophenyl)-3-(2-methylpropyl)-1,3-oxazolidin-5-yl]methanol
SMILESCC(C)CN1CC(CO)OC1c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-10(2)7-16-8-13(9-17)18-14(16)11-4-3-5-12(15)6-11/h3-6,10,13-14,17H,7-9H2,1-2H3
InChIKeyQZGYLZAQJWEHAE-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.80
Rot. Bonds4

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

[2-(3-bromophenyl)-3-(2-methylpropyl)-1,3-oxazolidin-5-yl]methanol (PubChem CID 82125010) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is [2-(3-bromophenyl)-3-(2-methylpropyl)-1,3-oxazolidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(3-bromophenyl)-3-(2-methylpropyl)-1,3-oxazolidin-5-yl]methanol
PubChem CID82125010
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name[2-(3-bromophenyl)-3-(2-methylpropyl)-1,3-oxazolidin-5-yl]methanol
SMILESCC(C)CN1CC(CO)OC1c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-10(2)7-16-8-13(9-17)18-14(16)11-4-3-5-12(15)6-11/h3-6,10,13-14,17H,7-9H2,1-2H3
InChIKeyQZGYLZAQJWEHAE-UHFFFAOYSA-N
XLogP2.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.80
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-(2-methylpropyl)-1,3-oxazolidin-5-yl]methanol?
The IUPAC name of [2-(3-bromophenyl)-3-(2-methylpropyl)-1,3-oxazolidin-5-yl]methanol (CID 82125010) is [2-(3-bromophenyl)-3-(2-methylpropyl)-1,3-oxazolidin-5-yl]methanol.
What is the SMILES notation for [2-(3-bromophenyl)-3-(2-methylpropyl)-1,3-oxazolidin-5-yl]methanol?
The canonical SMILES for [2-(3-bromophenyl)-3-(2-methylpropyl)-1,3-oxazolidin-5-yl]methanol is CC(C)CN1CC(CO)OC1c1cccc(Br)c1.
What is the InChIKey of [2-(3-bromophenyl)-3-(2-methylpropyl)-1,3-oxazolidin-5-yl]methanol?
The InChIKey is QZGYLZAQJWEHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-10(2)7-16-8-13(9-17)18-14(16)11-4-3-5-12(15)6-11/h3-6,10,13-14,17H,7-9H2,1-2H3.
What are the key properties of [2-(3-bromophenyl)-3-(2-methylpropyl)-1,3-oxazolidin-5-yl]methanol?
[2-(3-bromophenyl)-3-(2-methylpropyl)-1,3-oxazolidin-5-yl]methanol has a molecular weight of 314.22 g/mol, XLogP of 2.80, 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-(2-methylpropyl)-1,3-oxazolidin-5-yl]methanol is sourced from PubChem (CID 82125010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).