3-[3-(1-thiophen-3-ylethylamino)phenyl]-1,3-oxazolidin-2-one

C15H16N2O2S — CID 62090156

IUPAC3-[3-(1-thiophen-3-ylethylamino)phenyl]-1,3-oxazolidin-2-one
SMILESCC(Nc1cccc(N2CCOC2=O)c1)c1ccsc1
InChIInChI=1S/C15H16N2O2S/c1-11(12-5-8-20-10-12)16-13-3-2-4-14(9-13)17-6-7-19-15(17)18/h2-5,8-11,16H,6-7H2,1H3
InChIKeyTUKCDQOZPIJKEG-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.88
Rot. Bonds4

About 3-[3-(1-thiophen-3-ylethylamino)phenyl]-1,3-oxazolidin-2-one

3-[3-(1-thiophen-3-ylethylamino)phenyl]-1,3-oxazolidin-2-one (PubChem CID 62090156) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-[3-(1-thiophen-3-ylethylamino)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(1-thiophen-3-ylethylamino)phenyl]-1,3-oxazolidin-2-one
PubChem CID62090156
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name3-[3-(1-thiophen-3-ylethylamino)phenyl]-1,3-oxazolidin-2-one
SMILESCC(Nc1cccc(N2CCOC2=O)c1)c1ccsc1
InChIInChI=1S/C15H16N2O2S/c1-11(12-5-8-20-10-12)16-13-3-2-4-14(9-13)17-6-7-19-15(17)18/h2-5,8-11,16H,6-7H2,1H3
InChIKeyTUKCDQOZPIJKEG-UHFFFAOYSA-N
XLogP3.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one
CID 43787438
3-[3-(1-cyclohexylethylamino)phenyl]-1,3-oxazolidin-2-one
CID 43787434
3-[3-(1-cyclobutylpropan-2-ylamino)phenyl]-1,3-oxazolidin-2-one
CID 115918921
3-[3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]-1,3-oxazolidin-2-one
CID 94640750
3-[3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one
CID 71939095
3-N-(1-thiophen-3-ylethyl)benzene-1,3-diamine
CID 62841671
3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one
CID 107445145
3-[3-[(4-bromothiophen-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one
CID 43727311
3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one
CID 65295167
tert-butyl 3-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]azetidine-1-carboxylate
CID 124846666
N-(1-thiophen-3-ylethyl)aniline
CID 62090283
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide
CID 61178628

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-thiophen-3-ylethylamino)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(1-thiophen-3-ylethylamino)phenyl]-1,3-oxazolidin-2-one (CID 62090156) is 3-[3-(1-thiophen-3-ylethylamino)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(1-thiophen-3-ylethylamino)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(1-thiophen-3-ylethylamino)phenyl]-1,3-oxazolidin-2-one is CC(Nc1cccc(N2CCOC2=O)c1)c1ccsc1.
What is the InChIKey of 3-[3-(1-thiophen-3-ylethylamino)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is TUKCDQOZPIJKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-11(12-5-8-20-10-12)16-13-3-2-4-14(9-13)17-6-7-19-15(17)18/h2-5,8-11,16H,6-7H2,1H3.
What are the key properties of 3-[3-(1-thiophen-3-ylethylamino)phenyl]-1,3-oxazolidin-2-one?
3-[3-(1-thiophen-3-ylethylamino)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 288.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-thiophen-3-ylethylamino)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 62090156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).