(6R)-3-(3-bromophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one

C17H16BrNO2 — CID 68724842

IUPAC(6R)-3-(3-bromophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
SMILESC[C@]1(c2ccccc2)CCN(c2cccc(Br)c2)C(=O)O1
InChIInChI=1S/C17H16BrNO2/c1-17(13-6-3-2-4-7-13)10-11-19(16(20)21-17)15-9-5-8-14(18)12-15/h2-9,12H,10-11H2,1H3/t17-/m1/s1
InChIKeyFCQMFQGLDUEZDD-QGZVFWFLSA-N
MW346.22 g/mol
LogP4.71
Rot. Bonds2

About (6R)-3-(3-bromophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one

(6R)-3-(3-bromophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one (PubChem CID 68724842) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is (6R)-3-(3-bromophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6R)-3-(3-bromophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
PubChem CID68724842
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name(6R)-3-(3-bromophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
SMILESC[C@]1(c2ccccc2)CCN(c2cccc(Br)c2)C(=O)O1
InChIInChI=1S/C17H16BrNO2/c1-17(13-6-3-2-4-7-13)10-11-19(16(20)21-17)15-9-5-8-14(18)12-15/h2-9,12H,10-11H2,1H3/t17-/m1/s1
InChIKeyFCQMFQGLDUEZDD-QGZVFWFLSA-N
XLogP4.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(3-methoxyphenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25181597
6-(3-chlorophenyl)-6-methyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one
CID 25182420
methyl 4-[3-(6-methyl-2-oxo-6-phenyl-1,3-oxazinan-3-yl)phenyl]benzoate
CID 25181883
3-[2-(3-fluorophenyl)pyrimidin-4-yl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25182017
(6R)-6-methyl-6-phenyloxan-2-one
CID 100971522
(6S)-6-methyl-6-(3-methylphenyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one
CID 68726892
1-(3-bromophenyl)-3,3-dimethyl-1,4-diazocan-2-one
CID 117016441
1-(3-bromophenyl)-4,4-dimethylpiperidin-3-one
CID 117025219
4-methyl-1-(3-methylphenyl)-4-phenylpiperidin-2-one
CID 67104716
(3S)-4-(benzenesulfonyl)-1-(3-bromophenyl)-3-methylpiperazin-2-one
CID 93322852
(6S)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25182706
1-(3-bromophenyl)-2,2-dimethyl-5-oxopyrrolidine-3-carboxylic acid
CID 117022889

Frequently Asked Questions

What is the IUPAC name of (6R)-3-(3-bromophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The IUPAC name of (6R)-3-(3-bromophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one (CID 68724842) is (6R)-3-(3-bromophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for (6R)-3-(3-bromophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for (6R)-3-(3-bromophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one is C[C@]1(c2ccccc2)CCN(c2cccc(Br)c2)C(=O)O1.
What is the InChIKey of (6R)-3-(3-bromophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The InChIKey is FCQMFQGLDUEZDD-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-17(13-6-3-2-4-7-13)10-11-19(16(20)21-17)15-9-5-8-14(18)12-15/h2-9,12H,10-11H2,1H3/t17-/m1/s1.
What are the key properties of (6R)-3-(3-bromophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one?
(6R)-3-(3-bromophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one has a molecular weight of 346.22 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-(3-bromophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 68724842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).