(2S,4S)-2-(3-bromophenyl)-4-ethyl-1,3-oxazolidine

C11H14BrNO — CID 23659632

IUPAC(2S,4S)-2-(3-bromophenyl)-4-ethyl-1,3-oxazolidine
SMILESCC[C@H]1CO[C@@H](c2cccc(Br)c2)N1
InChIInChI=1S/C11H14BrNO/c1-2-10-7-14-11(13-10)8-4-3-5-9(12)6-8/h3-6,10-11,13H,2,7H2,1H3/t10-,11-/m0/s1
InChIKeyDPBUAAMBTZCBSY-QWRGUYRKSA-N
MW256.14 g/mol
LogP2.85
Rot. Bonds2

About (2S,4S)-2-(3-bromophenyl)-4-ethyl-1,3-oxazolidine

(2S,4S)-2-(3-bromophenyl)-4-ethyl-1,3-oxazolidine (PubChem CID 23659632) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is (2S,4S)-2-(3-bromophenyl)-4-ethyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2S,4S)-2-(3-bromophenyl)-4-ethyl-1,3-oxazolidine
PubChem CID23659632
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name(2S,4S)-2-(3-bromophenyl)-4-ethyl-1,3-oxazolidine
SMILESCC[C@H]1CO[C@@H](c2cccc(Br)c2)N1
InChIInChI=1S/C11H14BrNO/c1-2-10-7-14-11(13-10)8-4-3-5-9(12)6-8/h3-6,10-11,13H,2,7H2,1H3/t10-,11-/m0/s1
InChIKeyDPBUAAMBTZCBSY-QWRGUYRKSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-2-(3-bromophenyl)-4-tert-butyl-1,3-oxazolidine
CID 23659845
2-(3-bromophenyl)-4-methylazetidine
CID 116822056
2-(3-bromophenyl)-6-methyl-2,4-dihydro-1H-3,1-benzoxazine
CID 70943664
2-(3-fluorophenyl)-4-methyl-1,3-oxazolidine
CID 82280855
2-(3-bromophenyl)-3,4-dihydro-2H-1,3-oxazine
CID 151679409
2-(3-bromophenyl)-3-methylmorpholine
CID 82623438
2-(3-bromophenyl)-4-propylsulfonylmorpholine
CID 110364447
5-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-2-one
CID 83903279
2-(3-bromophenyl)-4-methylmorpholine
CID 82184638
2-(3-bromophenyl)imidazolidine
CID 57237390
2-(3-bromophenyl)-3-(difluoromethyl)oxetane
CID 168860187
1-bromo-3-(2-propylcyclopropyl)benzene
CID 142794167

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(3-bromophenyl)-4-ethyl-1,3-oxazolidine?
The IUPAC name of (2S,4S)-2-(3-bromophenyl)-4-ethyl-1,3-oxazolidine (CID 23659632) is (2S,4S)-2-(3-bromophenyl)-4-ethyl-1,3-oxazolidine.
What is the SMILES notation for (2S,4S)-2-(3-bromophenyl)-4-ethyl-1,3-oxazolidine?
The canonical SMILES for (2S,4S)-2-(3-bromophenyl)-4-ethyl-1,3-oxazolidine is CC[C@H]1CO[C@@H](c2cccc(Br)c2)N1.
What is the InChIKey of (2S,4S)-2-(3-bromophenyl)-4-ethyl-1,3-oxazolidine?
The InChIKey is DPBUAAMBTZCBSY-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-2-10-7-14-11(13-10)8-4-3-5-9(12)6-8/h3-6,10-11,13H,2,7H2,1H3/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-2-(3-bromophenyl)-4-ethyl-1,3-oxazolidine?
(2S,4S)-2-(3-bromophenyl)-4-ethyl-1,3-oxazolidine has a molecular weight of 256.14 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(3-bromophenyl)-4-ethyl-1,3-oxazolidine is sourced from PubChem (CID 23659632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).