2-(4-bromophenyl)-1-(4,4-dimethyl-1,3-oxazolidin-3-yl)ethanone

C13H16BrNO2 — CID 110740685

IUPAC2-(4-bromophenyl)-1-(4,4-dimethyl-1,3-oxazolidin-3-yl)ethanone
SMILESCC1(C)COCN1C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H16BrNO2/c1-13(2)8-17-9-15(13)12(16)7-10-3-5-11(14)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeyWAUYZCORKHJUNU-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.59
Rot. Bonds2

About 2-(4-bromophenyl)-1-(4,4-dimethyl-1,3-oxazolidin-3-yl)ethanone

2-(4-bromophenyl)-1-(4,4-dimethyl-1,3-oxazolidin-3-yl)ethanone (PubChem CID 110740685) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4,4-dimethyl-1,3-oxazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4,4-dimethyl-1,3-oxazolidin-3-yl)ethanone
PubChem CID110740685
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name2-(4-bromophenyl)-1-(4,4-dimethyl-1,3-oxazolidin-3-yl)ethanone
SMILESCC1(C)COCN1C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H16BrNO2/c1-13(2)8-17-9-15(13)12(16)7-10-3-5-11(14)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeyWAUYZCORKHJUNU-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-bromophenyl)acetyl]-6,6-dimethylpiperidin-3-one
CID 115269490
1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one
CID 110740632
1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-(2-fluorophenyl)propan-1-one
CID 110740675
4-[2-(4-bromophenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66074596
2-(4-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956667
2-(4-bromophenyl)-1-(1,3-oxazinan-3-yl)ethanone
CID 110739668
N-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide
CID 110749603
2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 884392
benzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate
CID 110740655
1-(4-bromo-3,3-dimethylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
CID 112747391
methyl 4-(4,4-dimethyl-1,3-oxazolidin-3-yl)-4-oxobutanoate
CID 110740604
2-(4-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567626

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4,4-dimethyl-1,3-oxazolidin-3-yl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(4,4-dimethyl-1,3-oxazolidin-3-yl)ethanone (CID 110740685) is 2-(4-bromophenyl)-1-(4,4-dimethyl-1,3-oxazolidin-3-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4,4-dimethyl-1,3-oxazolidin-3-yl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(4,4-dimethyl-1,3-oxazolidin-3-yl)ethanone is CC1(C)COCN1C(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(4,4-dimethyl-1,3-oxazolidin-3-yl)ethanone?
The InChIKey is WAUYZCORKHJUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-13(2)8-17-9-15(13)12(16)7-10-3-5-11(14)6-4-10/h3-6H,7-9H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-1-(4,4-dimethyl-1,3-oxazolidin-3-yl)ethanone?
2-(4-bromophenyl)-1-(4,4-dimethyl-1,3-oxazolidin-3-yl)ethanone has a molecular weight of 298.18 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(4,4-dimethyl-1,3-oxazolidin-3-yl)ethanone is sourced from PubChem (CID 110740685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).