4-propan-2-yl-3-(2-thiophen-2-ylethyl)-1,3-oxazolidin-2-one

C12H17NO2S — CID 13476319

IUPAC4-propan-2-yl-3-(2-thiophen-2-ylethyl)-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1CCc1cccs1
InChIInChI=1S/C12H17NO2S/c1-9(2)11-8-15-12(14)13(11)6-5-10-4-3-7-16-10/h3-4,7,9,11H,5-6,8H2,1-2H3
InChIKeyGCGDGKLNJUUZLP-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.77
Rot. Bonds4

About 4-propan-2-yl-3-(2-thiophen-2-ylethyl)-1,3-oxazolidin-2-one

4-propan-2-yl-3-(2-thiophen-2-ylethyl)-1,3-oxazolidin-2-one (PubChem CID 13476319) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-propan-2-yl-3-(2-thiophen-2-ylethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-propan-2-yl-3-(2-thiophen-2-ylethyl)-1,3-oxazolidin-2-one
PubChem CID13476319
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name4-propan-2-yl-3-(2-thiophen-2-ylethyl)-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1CCc1cccs1
InChIInChI=1S/C12H17NO2S/c1-9(2)11-8-15-12(14)13(11)6-5-10-4-3-7-16-10/h3-4,7,9,11H,5-6,8H2,1-2H3
InChIKeyGCGDGKLNJUUZLP-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 138601243
2-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetaldehyde
CID 58821279
4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione
CID 13455297
3,6-dicyclopropyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64885638
(4S)-10-methyl-4-propan-2-yl-5-(2-thiophen-2-ylacetyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-11-one
CID 133069971
(4S)-3-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 72874240
(2S,3S)-2-(5-methylthiophen-2-yl)-6-oxo-1-(2-thiophen-2-ylethyl)piperidine-3-carboxylic acid
CID 95314645
N-propan-2-yl-1-(2-thiophen-2-ylethyl)piperidin-3-amine
CID 63776852
1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one
CID 116624291
3-cyclopropyl-3,7-dimethyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione
CID 64882835
(1R)-1-cyclopentyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81395803
1-cyclobutyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 115706476

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3-(2-thiophen-2-ylethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-propan-2-yl-3-(2-thiophen-2-ylethyl)-1,3-oxazolidin-2-one (CID 13476319) is 4-propan-2-yl-3-(2-thiophen-2-ylethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-propan-2-yl-3-(2-thiophen-2-ylethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-propan-2-yl-3-(2-thiophen-2-ylethyl)-1,3-oxazolidin-2-one is CC(C)C1COC(=O)N1CCc1cccs1.
What is the InChIKey of 4-propan-2-yl-3-(2-thiophen-2-ylethyl)-1,3-oxazolidin-2-one?
The InChIKey is GCGDGKLNJUUZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9(2)11-8-15-12(14)13(11)6-5-10-4-3-7-16-10/h3-4,7,9,11H,5-6,8H2,1-2H3.
What are the key properties of 4-propan-2-yl-3-(2-thiophen-2-ylethyl)-1,3-oxazolidin-2-one?
4-propan-2-yl-3-(2-thiophen-2-ylethyl)-1,3-oxazolidin-2-one has a molecular weight of 239.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3-(2-thiophen-2-ylethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 13476319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).