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

C12H15BrN2O2 — CID 115060239

IUPAC4-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNCCC1COC(=O)N1Cc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O2/c13-10-3-1-9(2-4-10)7-15-11(5-6-14)8-17-12(15)16/h1-4,11H,5-8,14H2
InChIKeyRXRXBADZAHGKCC-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.12
Rot. Bonds4

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

4-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 115060239) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID115060239
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name4-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one
SMILESNCCC1COC(=O)N1Cc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O2/c13-10-3-1-9(2-4-10)7-15-11(5-6-14)8-17-12(15)16/h1-4,11H,5-8,14H2
InChIKeyRXRXBADZAHGKCC-UHFFFAOYSA-N
XLogP2.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-3-[(4-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060240
4-(aminomethyl)-3-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060232
4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060206
3-[(4-bromophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 115060250
4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one
CID 117010904
2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 115060253
3-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]propanoic acid
CID 115060258
4-(2-azidoethyl)-3-benzyl-1,3-oxazolidin-2-one
CID 53344302
4-(aminomethyl)-3-[(2-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060196
(4R)-4-benzyl-3-[3-(4-bromophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 57045887
5-(2-aminoethyl)-1-benzylpyrrolidin-2-one
CID 53415041
5-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 115065199

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one (CID 115060239) is 4-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one is NCCC1COC(=O)N1Cc1ccc(Br)cc1.
What is the InChIKey of 4-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is RXRXBADZAHGKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-10-3-1-9(2-4-10)7-15-11(5-6-14)8-17-12(15)16/h1-4,11H,5-8,14H2.
What are the key properties of 4-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one?
4-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 299.17 g/mol, XLogP of 2.12, 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-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 115060239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).