(4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one

C10H10BrNO2 — CID 131017344

IUPAC(4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one
SMILESO=C1N[C@H](c2ccccc2Br)CCO1
InChIInChI=1S/C10H10BrNO2/c11-8-4-2-1-3-7(8)9-5-6-14-10(13)12-9/h1-4,9H,5-6H2,(H,12,13)/t9-/m0/s1
InChIKeyURCHWXWXAGQDTH-VIFPVBQESA-N
MW256.10 g/mol
LogP2.62
Rot. Bonds1

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

(4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one (PubChem CID 131017344) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is (4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one
PubChem CID131017344
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name(4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one
SMILESO=C1N[C@H](c2ccccc2Br)CCO1
InChIInChI=1S/C10H10BrNO2/c11-8-4-2-1-3-7(8)9-5-6-14-10(13)12-9/h1-4,9H,5-6H2,(H,12,13)/t9-/m0/s1
InChIKeyURCHWXWXAGQDTH-VIFPVBQESA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184817
(4R)-4-(3-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184969
(4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185519
(4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184835
(4R)-4-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184970
(4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185520
(4R)-4-(2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184830
(4S)-4-(3-bromo-2-fluorophenyl)-1,3-oxazolidin-2-one
CID 130692620
(4S)-4-(2-tert-butylsulfanylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185965
(4S)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one
CID 131592741
(4R)-4-(2-hydroxy-3-methylphenyl)-1,3-oxazinan-2-one
CID 131484932
(4R)-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one
CID 171185374

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one?
The IUPAC name of (4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one (CID 131017344) is (4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one?
The canonical SMILES for (4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one is O=C1N[C@H](c2ccccc2Br)CCO1.
What is the InChIKey of (4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one?
The InChIKey is URCHWXWXAGQDTH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10BrNO2/c11-8-4-2-1-3-7(8)9-5-6-14-10(13)12-9/h1-4,9H,5-6H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one?
(4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one has a molecular weight of 256.10 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 131017344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).