4-(2-aminoethyl)-3-[(2-bromophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one

C13H17BrN2O2 — CID 115064492

IUPAC4-(2-aminoethyl)-3-[(2-bromophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC1(CCN)COC(=O)N1Cc1ccccc1Br
InChIInChI=1S/C13H17BrN2O2/c1-13(6-7-15)9-18-12(17)16(13)8-10-4-2-3-5-11(10)14/h2-5H,6-9,15H2,1H3
InChIKeyDZMKIBORMGBWHB-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.51
Rot. Bonds4

About 4-(2-aminoethyl)-3-[(2-bromophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one

4-(2-aminoethyl)-3-[(2-bromophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 115064492) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3-[(2-bromophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-3-[(2-bromophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID115064492
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name4-(2-aminoethyl)-3-[(2-bromophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC1(CCN)COC(=O)N1Cc1ccccc1Br
InChIInChI=1S/C13H17BrN2O2/c1-13(6-7-15)9-18-12(17)16(13)8-10-4-2-3-5-11(10)14/h2-5H,6-9,15H2,1H3
InChIKeyDZMKIBORMGBWHB-UHFFFAOYSA-N
XLogP2.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 115064483
3-[4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid
CID 115064700
4-(2-aminoethyl)-4-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one
CID 115064459
6-(aminomethyl)-4-[(2-bromophenyl)methyl]-6-methylmorpholin-3-one
CID 115068056
1-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64884573
3-(2-bromophenyl)-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
CID 115063939
4-(aminomethyl)-3-[(3-fluorophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 115064427
5-(3-aminopropyl)-3-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060054
1-[(2-bromophenyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 60975356
1-[(2-bromophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
CID 64878954
1-[(2-bromophenyl)methyl]-3-ethyl-3-methyl-1,4-diazepane-2,5-dione
CID 64881928
1-[(2-bromophenyl)methyl]-1,3-diazinane-2,4-dione
CID 76907862

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3-[(2-bromophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(2-aminoethyl)-3-[(2-bromophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one (CID 115064492) is 4-(2-aminoethyl)-3-[(2-bromophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-3-[(2-bromophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(2-aminoethyl)-3-[(2-bromophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one is CC1(CCN)COC(=O)N1Cc1ccccc1Br.
What is the InChIKey of 4-(2-aminoethyl)-3-[(2-bromophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is DZMKIBORMGBWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-13(6-7-15)9-18-12(17)16(13)8-10-4-2-3-5-11(10)14/h2-5H,6-9,15H2,1H3.
What are the key properties of 4-(2-aminoethyl)-3-[(2-bromophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?
4-(2-aminoethyl)-3-[(2-bromophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 313.19 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-3-[(2-bromophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).