2-(3-bromophenyl)-2,5-dimethyl-1,3-oxazolidine

C11H14BrNO — CID 117229092

IUPAC2-(3-bromophenyl)-2,5-dimethyl-1,3-oxazolidine
SMILESCC1CNC(C)(c2cccc(Br)c2)O1
InChIInChI=1S/C11H14BrNO/c1-8-7-13-11(2,14-8)9-4-3-5-10(12)6-9/h3-6,8,13H,7H2,1-2H3
InChIKeyISBCMROZFDAYCL-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.63
Rot. Bonds1

About 2-(3-bromophenyl)-2,5-dimethyl-1,3-oxazolidine

2-(3-bromophenyl)-2,5-dimethyl-1,3-oxazolidine (PubChem CID 117229092) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2,5-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-(3-bromophenyl)-2,5-dimethyl-1,3-oxazolidine
PubChem CID117229092
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-(3-bromophenyl)-2,5-dimethyl-1,3-oxazolidine
SMILESCC1CNC(C)(c2cccc(Br)c2)O1
InChIInChI=1S/C11H14BrNO/c1-8-7-13-11(2,14-8)9-4-3-5-10(12)6-9/h3-6,8,13H,7H2,1-2H3
InChIKeyISBCMROZFDAYCL-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-2,5-dimethyl-1,3-oxazolidine
CID 117229091
2-(3-bromophenyl)-2,4-dimethyl-1,3-oxazolidine
CID 117228454
2,5-dimethyl-2-(4-methylphenyl)-1,3-oxazolidine
CID 117229124
1-bromo-3-(1,3-dimethylcyclobutyl)benzene
CID 169179342
2-(furan-2-yl)-2,5-dimethyl-1,3-oxazolidine
CID 117228961
(3R)-3-(3-bromophenyl)-3-methylmorpholine
CID 96926768
2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride
CID 115053306
2-(3-bromophenyl)-2-methylpyrrolidin-3-ol
CID 115047690
2,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane
CID 117227009
2-(3-bromophenyl)-4-fluoro-2-methylpiperidine
CID 115050602
1-bromo-3-(1-ethenyl-3-methylcyclobutyl)benzene
CID 170948533
2-(3-bromophenyl)-2-methylpiperidin-3-ol;hydrochloride
CID 115054403

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2,5-dimethyl-1,3-oxazolidine?
The IUPAC name of 2-(3-bromophenyl)-2,5-dimethyl-1,3-oxazolidine (CID 117229092) is 2-(3-bromophenyl)-2,5-dimethyl-1,3-oxazolidine.
What is the SMILES notation for 2-(3-bromophenyl)-2,5-dimethyl-1,3-oxazolidine?
The canonical SMILES for 2-(3-bromophenyl)-2,5-dimethyl-1,3-oxazolidine is CC1CNC(C)(c2cccc(Br)c2)O1.
What is the InChIKey of 2-(3-bromophenyl)-2,5-dimethyl-1,3-oxazolidine?
The InChIKey is ISBCMROZFDAYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-8-7-13-11(2,14-8)9-4-3-5-10(12)6-9/h3-6,8,13H,7H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-2,5-dimethyl-1,3-oxazolidine?
2-(3-bromophenyl)-2,5-dimethyl-1,3-oxazolidine has a molecular weight of 256.14 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2,5-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 117229092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).