3-(2-bromophenyl)-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one

C11H12BrNO3 — CID 115063939

IUPAC3-(2-bromophenyl)-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCC1(CO)COC(=O)N1c1ccccc1Br
InChIInChI=1S/C11H12BrNO3/c1-11(6-14)7-16-10(15)13(11)9-5-3-2-4-8(9)12/h2-5,14H,6-7H2,1H3
InChIKeyBQZRHKVXEZUWQE-UHFFFAOYSA-N
MW286.12 g/mol
LogP2.16
Rot. Bonds2

About 3-(2-bromophenyl)-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one

3-(2-bromophenyl)-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 115063939) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is 3-(2-bromophenyl)-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-bromophenyl)-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID115063939
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Name3-(2-bromophenyl)-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCC1(CO)COC(=O)N1c1ccccc1Br
InChIInChI=1S/C11H12BrNO3/c1-11(6-14)7-16-10(15)13(11)9-5-3-2-4-8(9)12/h2-5,14H,6-7H2,1H3
InChIKeyBQZRHKVXEZUWQE-UHFFFAOYSA-N
XLogP2.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-3-(2-hydroxyphenyl)-4-methyl-1,3-oxazolidin-2-one
CID 115063942
2-[4-methyl-3-(2-methylphenyl)-2-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 115064623
4-(2-aminoethyl)-4-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one
CID 115064459
4-(2-aminoethyl)-3-[(2-bromophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 115064492
3-(2-bromophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115063936
2-[4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]acetic acid
CID 115064614
3-(2-bromophenyl)-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011572
4-methyl-3,4-bis[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 87429760
3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011660
1-(2-bromophenyl)-3-(2-hydroxyethyl)-5,5-dimethylpiperazin-2-one
CID 84607837
1-(2-bromophenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016957
3-ethyl-4-(2-hydroxyethyl)-4-methyl-1,3-oxazolidin-2-one
CID 115064056

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-bromophenyl)-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one (CID 115063939) is 3-(2-bromophenyl)-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-bromophenyl)-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-bromophenyl)-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one is CC1(CO)COC(=O)N1c1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is BQZRHKVXEZUWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-11(6-14)7-16-10(15)13(11)9-5-3-2-4-8(9)12/h2-5,14H,6-7H2,1H3.
What are the key properties of 3-(2-bromophenyl)-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one?
3-(2-bromophenyl)-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 286.12 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115063939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).