2-(3-bromophenyl)-3-methyl-1,3-oxazolidine

C10H12BrNO — CID 3051658

IUPAC2-(3-bromophenyl)-3-methyl-1,3-oxazolidine
SMILESCN1CCOC1c1cccc(Br)c1
InChIInChI=1S/C10H12BrNO/c1-12-5-6-13-10(12)8-3-2-4-9(11)7-8/h2-4,7,10H,5-6H2,1H3
InChIKeyJFEADYOUTRCSKM-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.41
Rot. Bonds1

About 2-(3-bromophenyl)-3-methyl-1,3-oxazolidine

2-(3-bromophenyl)-3-methyl-1,3-oxazolidine (PubChem CID 3051658) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-methyl-1,3-oxazolidine
PubChem CID3051658
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name2-(3-bromophenyl)-3-methyl-1,3-oxazolidine
SMILESCN1CCOC1c1cccc(Br)c1
InChIInChI=1S/C10H12BrNO/c1-12-5-6-13-10(12)8-3-2-4-9(11)7-8/h2-4,7,10H,5-6H2,1H3
InChIKeyJFEADYOUTRCSKM-UHFFFAOYSA-N
XLogP2.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-2-phenyl-1,3-oxazolidine
CID 98113
2,3-Dimethyl-2-phenyl-1,3-oxazolidine
CID 388442
3-Methyl-2-(4-methylphenyl)-1,3-oxazolidine
CID 3051660
2-Phenyl-3-propan-2-yl-1,3-oxazolidine
CID 254611
(2S,4S,5R)-2-(2-bromophenyl)-3,4-dimethyl-5-phenyloxazolidine
CID 24892495
2-(2-Phenyl-1,3-oxazolidin-3-yl)ethan-1-ol
CID 12648663
Oxazolidine, 2-(p-fluorophenyl)-3-methyl-
CID 3051655
Oxazolidine, 2-(m-fluorophenyl)-3-methyl-
CID 3051656
3-Methyl-2-(3-methylphenyl)-1,3-oxazolidine
CID 3051661
3-Methyl-2-(2-methylphenyl)-1,3-oxazolidine
CID 3051662
3-Ethyl-2-phenyl-1,3-oxazolidine
CID 567725
2-(2-fluoro-5-bromobenzyloxy)-(N,N-dimethyl)ethylamine
CID 21196119

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-methyl-1,3-oxazolidine?
The IUPAC name of 2-(3-bromophenyl)-3-methyl-1,3-oxazolidine (CID 3051658) is 2-(3-bromophenyl)-3-methyl-1,3-oxazolidine.
What is the SMILES notation for 2-(3-bromophenyl)-3-methyl-1,3-oxazolidine?
The canonical SMILES for 2-(3-bromophenyl)-3-methyl-1,3-oxazolidine is CN1CCOC1c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-methyl-1,3-oxazolidine?
The InChIKey is JFEADYOUTRCSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-12-5-6-13-10(12)8-3-2-4-9(11)7-8/h2-4,7,10H,5-6H2,1H3.
What are the key properties of 2-(3-bromophenyl)-3-methyl-1,3-oxazolidine?
2-(3-bromophenyl)-3-methyl-1,3-oxazolidine has a molecular weight of 242.12 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-methyl-1,3-oxazolidine is sourced from PubChem (CID 3051658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).