4-[(4-bromophenyl)methyl]-1,3-oxazinan-2-one

C11H12BrNO2 — CID 91375071

IUPAC4-[(4-bromophenyl)methyl]-1,3-oxazinan-2-one
SMILESO=C1NC(Cc2ccc(Br)cc2)CCO1
InChIInChI=1S/C11H12BrNO2/c12-9-3-1-8(2-4-9)7-10-5-6-15-11(14)13-10/h1-4,10H,5-7H2,(H,13,14)
InChIKeyWLBIWGLWSBBBGM-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.49
Rot. Bonds2

About 4-[(4-bromophenyl)methyl]-1,3-oxazinan-2-one

4-[(4-bromophenyl)methyl]-1,3-oxazinan-2-one (PubChem CID 91375071) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-[(4-bromophenyl)methyl]-1,3-oxazinan-2-one
PubChem CID91375071
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name4-[(4-bromophenyl)methyl]-1,3-oxazinan-2-one
SMILESO=C1NC(Cc2ccc(Br)cc2)CCO1
InChIInChI=1S/C11H12BrNO2/c12-9-3-1-8(2-4-9)7-10-5-6-15-11(14)13-10/h1-4,10H,5-7H2,(H,13,14)
InChIKeyWLBIWGLWSBBBGM-UHFFFAOYSA-N
XLogP2.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-iodophenyl)methyl]-1,3-oxazolidin-2-one
CID 175523266
(4R)-4-benzyl-5,5-dideuterio-1,3-oxazolidin-2-one
CID 102157327
lithium (4S)-4-benzyl-1,3-oxazolidin-2-one
CID 21353540
4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one
CID 170381802
(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one;ethane
CID 143785043
(4R)-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 10398104
3-[(4-bromophenyl)methoxy]oxolan-2-one
CID 86720089
4-(aminomethyl)-5-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one
CID 115062527
4-[(4-propoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 18338957
(4S)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one
CID 131592741
(3R)-3-[(4-bromophenyl)methyl]piperidin-2-one
CID 124593006
1-bromo-4-(cyclopentylmethyl)benzene
CID 18754946

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methyl]-1,3-oxazinan-2-one?
The IUPAC name of 4-[(4-bromophenyl)methyl]-1,3-oxazinan-2-one (CID 91375071) is 4-[(4-bromophenyl)methyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 4-[(4-bromophenyl)methyl]-1,3-oxazinan-2-one?
The canonical SMILES for 4-[(4-bromophenyl)methyl]-1,3-oxazinan-2-one is O=C1NC(Cc2ccc(Br)cc2)CCO1.
What is the InChIKey of 4-[(4-bromophenyl)methyl]-1,3-oxazinan-2-one?
The InChIKey is WLBIWGLWSBBBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-9-3-1-8(2-4-9)7-10-5-6-15-11(14)13-10/h1-4,10H,5-7H2,(H,13,14).
What are the key properties of 4-[(4-bromophenyl)methyl]-1,3-oxazinan-2-one?
4-[(4-bromophenyl)methyl]-1,3-oxazinan-2-one has a molecular weight of 270.13 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 91375071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).