3-(4-bromophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one

C12H14BrNO3 — CID 117011179

IUPAC3-(4-bromophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one
SMILESO=C1OCC(CCO)CN1c1ccc(Br)cc1
InChIInChI=1S/C12H14BrNO3/c13-10-1-3-11(4-2-10)14-7-9(5-6-15)8-17-12(14)16/h1-4,9,15H,5-8H2
InChIKeyMTQLNTVDUGVPML-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.40
Rot. Bonds3

About 3-(4-bromophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one

3-(4-bromophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one (PubChem CID 117011179) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one
PubChem CID117011179
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name3-(4-bromophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one
SMILESO=C1OCC(CCO)CN1c1ccc(Br)cc1
InChIInChI=1S/C12H14BrNO3/c13-10-1-3-11(4-2-10)14-7-9(5-6-15)8-17-12(14)16/h1-4,9,15H,5-8H2
InChIKeyMTQLNTVDUGVPML-UHFFFAOYSA-N
XLogP2.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-2-oxo-1,3-oxazinane-5-carboxylic acid
CID 117010282
5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one
CID 117011525
3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011573
5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one
CID 117002393
5-(2-aminoethyl)-3-(4-ethylphenyl)-1,3-oxazinan-2-one
CID 117002404
5-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1,3-oxazinan-2-one
CID 117011181
3-(2-bromophenyl)-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011572
5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one
CID 117002429
2-[1-(4-bromophenyl)piperidin-4-yl]ethanol
CID 117003534
1-(4-bromophenyl)-3-[(2,4-dichlorophenyl)methyl]-5-(2-hydroxyethyl)-1,3-diazinan-2-one
CID 10161539
3-(3-bromo-4-methylphenyl)-5-(methylaminomethyl)-1,3-oxazinan-2-one
CID 117002344
1-(4-bromophenyl)-3-(2-hydroxyethyl)-6-methyl-1,4-diazepan-2-one
CID 84608069

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-(4-bromophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one (CID 117011179) is 3-(4-bromophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(4-bromophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-(4-bromophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one is O=C1OCC(CCO)CN1c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one?
The InChIKey is MTQLNTVDUGVPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c13-10-1-3-11(4-2-10)14-7-9(5-6-15)8-17-12(14)16/h1-4,9,15H,5-8H2.
What are the key properties of 3-(4-bromophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one?
3-(4-bromophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one has a molecular weight of 300.15 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117011179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).