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

C10H11BrN2O2 — CID 82023132

IUPAC5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
SMILESNCC1CN(c2ccccc2Br)C(=O)O1
InChIInChI=1S/C10H11BrN2O2/c11-8-3-1-2-4-9(8)13-6-7(5-12)15-10(13)14/h1-4,7H,5-6,12H2
InChIKeyPQZRWNSAONCIPC-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.73
Rot. Bonds2

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

5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one (PubChem CID 82023132) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
PubChem CID82023132
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
SMILESNCC1CN(c2ccccc2Br)C(=O)O1
InChIInChI=1S/C10H11BrN2O2/c11-8-3-1-2-4-9(8)13-6-7(5-12)15-10(13)14/h1-4,7H,5-6,12H2
InChIKeyPQZRWNSAONCIPC-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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Related Compounds

5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 115003408
3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011660
(5S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 44607680
(5S)-5-(aminomethyl)-3-[4-[4-(2-chlorophenyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 142669210
5-(aminomethyl)-3-(2,6-difluorophenyl)-1,3-oxazolidin-2-one
CID 82023144
5-(aminomethyl)-3-[2-(3-fluoromorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 175215345
5-(aminomethyl)-3-(1H-pyrrol-2-yl)-1,3-oxazolidin-2-one
CID 116838093
5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one
CID 117002429
(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 115056869
5-(hydroxymethyl)-3-(2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 19773689
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide
CID 93181902
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one (CID 82023132) is 5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one is NCC1CN(c2ccccc2Br)C(=O)O1.
What is the InChIKey of 5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one?
The InChIKey is PQZRWNSAONCIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-8-3-1-2-4-9(8)13-6-7(5-12)15-10(13)14/h1-4,7H,5-6,12H2.
What are the key properties of 5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-(2-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-(2-bromophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 82023132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).