3-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one

C15H15BrN2O2S — CID 43787438

IUPAC3-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one
SMILESCC(Nc1cccc(N2CCOC2=O)c1)c1sccc1Br
InChIInChI=1S/C15H15BrN2O2S/c1-10(14-13(16)5-8-21-14)17-11-3-2-4-12(9-11)18-6-7-20-15(18)19/h2-5,8-10,17H,6-7H2,1H3
InChIKeyVBZLKDOEXZGRIX-UHFFFAOYSA-N
MW367.27 g/mol
LogP4.64
Rot. Bonds4

About 3-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one

3-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one (PubChem CID 43787438) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is 3-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one
PubChem CID43787438
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name3-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one
SMILESCC(Nc1cccc(N2CCOC2=O)c1)c1sccc1Br
InChIInChI=1S/C15H15BrN2O2S/c1-10(14-13(16)5-8-21-14)17-11-3-2-4-12(9-11)18-6-7-20-15(18)19/h2-5,8-10,17H,6-7H2,1H3
InChIKeyVBZLKDOEXZGRIX-UHFFFAOYSA-N
XLogP4.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(thiophen-3-ylmethyl)urea
CID 51080414
N-[[3-[4-[4-[(4-bromothiophen-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10118399
N-[[(5S)-3-[4-[4-[(4-bromothiophen-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10217925
N-[3-[1-(3-bromothiophen-2-yl)ethylamino]-4-fluorophenyl]acetamide
CID 43778951
3-bromo-N-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiophene-2-carboxamide
CID 60576303
N-[5-[1-(3-bromothiophen-2-yl)ethylamino]-2-fluorophenyl]acetamide
CID 60927479
1-[(3-Bromothiophen-2-yl)methyl]-3-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 71882258
tert-butyl N-[3-[(4-bromothiophen-2-yl)methylamino]-4-fluorophenyl]carbamate
CID 103697112
N-[5-[1-(4-bromothiophen-2-yl)ethylamino]-2-fluorophenyl]acetamide
CID 107167752
N-[3-[1-(4-bromothiophen-2-yl)ethylamino]-4-fluorophenyl]acetamide
CID 107167818
tert-butyl N-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]carbamate
CID 107240590
tert-butyl N-[5-[(3-bromothiophen-2-yl)methylamino]-2-fluorophenyl]carbamate
CID 107240626

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one (CID 43787438) is 3-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one is CC(Nc1cccc(N2CCOC2=O)c1)c1sccc1Br.
What is the InChIKey of 3-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is VBZLKDOEXZGRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-10(14-13(16)5-8-21-14)17-11-3-2-4-12(9-11)18-6-7-20-15(18)19/h2-5,8-10,17H,6-7H2,1H3.
What are the key properties of 3-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one?
3-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 367.27 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 43787438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).