3-[3-[(4-bromothiophen-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one

C14H13BrN2O2S — CID 43727311

IUPAC3-[3-[(4-bromothiophen-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cccc(NCc2cc(Br)cs2)c1
InChIInChI=1S/C14H13BrN2O2S/c15-10-6-13(20-9-10)8-16-11-2-1-3-12(7-11)17-4-5-19-14(17)18/h1-3,6-7,9,16H,4-5,8H2
InChIKeyWUVCMTHOQCOWEY-UHFFFAOYSA-N
MW353.24 g/mol
LogP4.08
Rot. Bonds4

About 3-[3-[(4-bromothiophen-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one

3-[3-[(4-bromothiophen-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one (PubChem CID 43727311) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is 3-[3-[(4-bromothiophen-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[(4-bromothiophen-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one
PubChem CID43727311
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC Name3-[3-[(4-bromothiophen-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cccc(NCc2cc(Br)cs2)c1
InChIInChI=1S/C14H13BrN2O2S/c15-10-6-13(20-9-10)8-16-11-2-1-3-12(7-11)17-4-5-19-14(17)18/h1-3,6-7,9,16H,4-5,8H2
InChIKeyWUVCMTHOQCOWEY-UHFFFAOYSA-N
XLogP4.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-bromothiophen-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[(4-bromothiophen-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one (CID 43727311) is 3-[3-[(4-bromothiophen-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[(4-bromothiophen-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[(4-bromothiophen-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one is O=C1OCCN1c1cccc(NCc2cc(Br)cs2)c1.
What is the InChIKey of 3-[3-[(4-bromothiophen-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is WUVCMTHOQCOWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c15-10-6-13(20-9-10)8-16-11-2-1-3-12(7-11)17-4-5-19-14(17)18/h1-3,6-7,9,16H,4-5,8H2.
What are the key properties of 3-[3-[(4-bromothiophen-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one?
3-[3-[(4-bromothiophen-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 353.24 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-bromothiophen-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 43727311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).