(2R,4R)-2-(4-bromophenyl)-3-methyl-4-phenyl-1,3-oxazolidine

C16H16BrNO — CID 14738791

IUPAC(2R,4R)-2-(4-bromophenyl)-3-methyl-4-phenyl-1,3-oxazolidine
SMILESCN1[C@@H](c2ccc(Br)cc2)OC[C@H]1c1ccccc1
InChIInChI=1S/C16H16BrNO/c1-18-15(12-5-3-2-4-6-12)11-19-16(18)13-7-9-14(17)10-8-13/h2-10,15-16H,11H2,1H3/t15-,16+/m0/s1
InChIKeyZBBMSXSEKDMHNG-JKSUJKDBSA-N
MW318.21 g/mol
LogP4.15
Rot. Bonds2

About (2R,4R)-2-(4-bromophenyl)-3-methyl-4-phenyl-1,3-oxazolidine

(2R,4R)-2-(4-bromophenyl)-3-methyl-4-phenyl-1,3-oxazolidine (PubChem CID 14738791) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is (2R,4R)-2-(4-bromophenyl)-3-methyl-4-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,4R)-2-(4-bromophenyl)-3-methyl-4-phenyl-1,3-oxazolidine
PubChem CID14738791
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name(2R,4R)-2-(4-bromophenyl)-3-methyl-4-phenyl-1,3-oxazolidine
SMILESCN1[C@@H](c2ccc(Br)cc2)OC[C@H]1c1ccccc1
InChIInChI=1S/C16H16BrNO/c1-18-15(12-5-3-2-4-6-12)11-19-16(18)13-7-9-14(17)10-8-13/h2-10,15-16H,11H2,1H3/t15-,16+/m0/s1
InChIKeyZBBMSXSEKDMHNG-JKSUJKDBSA-N
XLogP4.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4R)-3-benzhydryl-2,4-diphenyl-1,3-oxazolidine
CID 10548499
(2S,4S)-2-(4-methoxyphenyl)-3-nitroso-4-phenyl-1,3-oxazolidine
CID 102477659
(4-bromophenyl)-phenyliodanium
CID 6332504
(2S,4R)-2-methyl-4-phenyl-3-propan-2-yl-1,3-oxazolidine
CID 102061324
(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
CID 102473250
4-bromo-2-[(2S,4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol
CID 26415005
3-methyl-4-phenyl-1,3-oxazolidine
CID 19920145
6,6-dimethyl-3-phenyl-2,3,5,7a-tetrahydropyrazolo[5,1-b][1,3]oxazol-7-one
CID 57314163
(2S,4S)-2-(4-nitrophenyl)-3-nitroso-4-phenyl-1,3-oxazolidine
CID 102477658
(3R,7S)-4-methyl-3,7-diphenyl-1,4-oxazepan-5-one
CID 142880307
(2R,3S)-2-bromo-3-(4-bromophenyl)-1-[(4R)-4-phenyl-1,3-oxazolidin-3-yl]butan-1-one
CID 141092203
[2-(4-bromophenyl)aziridin-1-yl]silane
CID 123457799

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(4-bromophenyl)-3-methyl-4-phenyl-1,3-oxazolidine?
The IUPAC name of (2R,4R)-2-(4-bromophenyl)-3-methyl-4-phenyl-1,3-oxazolidine (CID 14738791) is (2R,4R)-2-(4-bromophenyl)-3-methyl-4-phenyl-1,3-oxazolidine.
What is the SMILES notation for (2R,4R)-2-(4-bromophenyl)-3-methyl-4-phenyl-1,3-oxazolidine?
The canonical SMILES for (2R,4R)-2-(4-bromophenyl)-3-methyl-4-phenyl-1,3-oxazolidine is CN1[C@@H](c2ccc(Br)cc2)OC[C@H]1c1ccccc1.
What is the InChIKey of (2R,4R)-2-(4-bromophenyl)-3-methyl-4-phenyl-1,3-oxazolidine?
The InChIKey is ZBBMSXSEKDMHNG-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-18-15(12-5-3-2-4-6-12)11-19-16(18)13-7-9-14(17)10-8-13/h2-10,15-16H,11H2,1H3/t15-,16+/m0/s1.
What are the key properties of (2R,4R)-2-(4-bromophenyl)-3-methyl-4-phenyl-1,3-oxazolidine?
(2R,4R)-2-(4-bromophenyl)-3-methyl-4-phenyl-1,3-oxazolidine has a molecular weight of 318.21 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(4-bromophenyl)-3-methyl-4-phenyl-1,3-oxazolidine is sourced from PubChem (CID 14738791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).