5-(aminomethyl)-3-(4-bromophenyl)-1,3-oxazolidin-2-one

C10H11BrN2O2 — CID 23162356

IUPAC5-(aminomethyl)-3-(4-bromophenyl)-1,3-oxazolidin-2-one
SMILESNCC1CN(c2ccc(Br)cc2)C(=O)O1
InChIInChI=1S/C10H11BrN2O2/c11-7-1-3-8(4-2-7)13-6-9(5-12)15-10(13)14/h1-4,9H,5-6,12H2
InChIKeyNTXIXTCHWNDWDO-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.73
Rot. Bonds2

About 5-(aminomethyl)-3-(4-bromophenyl)-1,3-oxazolidin-2-one

5-(aminomethyl)-3-(4-bromophenyl)-1,3-oxazolidin-2-one (PubChem CID 23162356) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(4-bromophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-(4-bromophenyl)-1,3-oxazolidin-2-one
PubChem CID23162356
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name5-(aminomethyl)-3-(4-bromophenyl)-1,3-oxazolidin-2-one
SMILESNCC1CN(c2ccc(Br)cc2)C(=O)O1
InChIInChI=1S/C10H11BrN2O2/c11-7-1-3-8(4-2-7)13-6-9(5-12)15-10(13)14/h1-4,9H,5-6,12H2
InChIKeyNTXIXTCHWNDWDO-UHFFFAOYSA-N
XLogP1.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(4-bromophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-(4-bromophenyl)-1,3-oxazolidin-2-one (CID 23162356) is 5-(aminomethyl)-3-(4-bromophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-(4-bromophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-(4-bromophenyl)-1,3-oxazolidin-2-one is NCC1CN(c2ccc(Br)cc2)C(=O)O1.
What is the InChIKey of 5-(aminomethyl)-3-(4-bromophenyl)-1,3-oxazolidin-2-one?
The InChIKey is NTXIXTCHWNDWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-7-1-3-8(4-2-7)13-6-9(5-12)15-10(13)14/h1-4,9H,5-6,12H2.
What are the key properties of 5-(aminomethyl)-3-(4-bromophenyl)-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-(4-bromophenyl)-1,3-oxazolidin-2-one has a molecular weight of 271.11 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-(4-bromophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 23162356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).