(2-bromo-3-methylphenyl)-(1,3-oxazolidin-3-yl)methanone

C11H12BrNO2 — CID 130965206

IUPAC(2-bromo-3-methylphenyl)-(1,3-oxazolidin-3-yl)methanone
SMILESCc1cccc(C(=O)N2CCOC2)c1Br
InChIInChI=1S/C11H12BrNO2/c1-8-3-2-4-9(10(8)12)11(14)13-5-6-15-7-13/h2-4H,5-7H2,1H3
InChIKeyAXJACQLUMDQOPW-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.19
Rot. Bonds1

About (2-bromo-3-methylphenyl)-(1,3-oxazolidin-3-yl)methanone

(2-bromo-3-methylphenyl)-(1,3-oxazolidin-3-yl)methanone (PubChem CID 130965206) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(1,3-oxazolidin-3-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(1,3-oxazolidin-3-yl)methanone
PubChem CID130965206
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name(2-bromo-3-methylphenyl)-(1,3-oxazolidin-3-yl)methanone
SMILESCc1cccc(C(=O)N2CCOC2)c1Br
InChIInChI=1S/C11H12BrNO2/c1-8-3-2-4-9(10(8)12)11(14)13-5-6-15-7-13/h2-4H,5-7H2,1H3
InChIKeyAXJACQLUMDQOPW-UHFFFAOYSA-N
XLogP2.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

aziridin-1-yl-(2-bromo-3-methylphenyl)methanone
CID 131089589
(2-bromo-3-methylphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647311
(2-bromo-3-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 103855429
azepan-1-yl-(2-bromo-3-methylphenyl)methanone
CID 103852629
(2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 67326501
[2-(aminomethyl)morpholin-4-yl]-(2-bromo-3-methylphenyl)methanone
CID 107983238
(2-bromo-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 103853932
(2-bromo-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 113339336
(2-bromo-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 106812606
4-(2-bromo-3-methylbenzoyl)piperazine-2,6-dione
CID 107982552
(2-bromo-3-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107982520
2-bromo-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 103853094

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(1,3-oxazolidin-3-yl)methanone?
The IUPAC name of (2-bromo-3-methylphenyl)-(1,3-oxazolidin-3-yl)methanone (CID 130965206) is (2-bromo-3-methylphenyl)-(1,3-oxazolidin-3-yl)methanone.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(1,3-oxazolidin-3-yl)methanone?
The canonical SMILES for (2-bromo-3-methylphenyl)-(1,3-oxazolidin-3-yl)methanone is Cc1cccc(C(=O)N2CCOC2)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)-(1,3-oxazolidin-3-yl)methanone?
The InChIKey is AXJACQLUMDQOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-8-3-2-4-9(10(8)12)11(14)13-5-6-15-7-13/h2-4H,5-7H2,1H3.
What are the key properties of (2-bromo-3-methylphenyl)-(1,3-oxazolidin-3-yl)methanone?
(2-bromo-3-methylphenyl)-(1,3-oxazolidin-3-yl)methanone has a molecular weight of 270.13 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-(1,3-oxazolidin-3-yl)methanone is sourced from PubChem (CID 130965206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).