3-[(3S)-3-thiophen-2-ylbutanoyl]-1,3-oxazolidin-2-one

C11H13NO3S — CID 101389240

IUPAC3-[(3S)-3-thiophen-2-ylbutanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](CC(=O)N1CCOC1=O)c1cccs1
InChIInChI=1S/C11H13NO3S/c1-8(9-3-2-6-16-9)7-10(13)12-4-5-15-11(12)14/h2-3,6,8H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyBBJUXQCDGBRXRT-QMMMGPOBSA-N
MW239.30 g/mol
LogP2.22
Rot. Bonds3

About 3-[(3S)-3-thiophen-2-ylbutanoyl]-1,3-oxazolidin-2-one

3-[(3S)-3-thiophen-2-ylbutanoyl]-1,3-oxazolidin-2-one (PubChem CID 101389240) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 3-[(3S)-3-thiophen-2-ylbutanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-thiophen-2-ylbutanoyl]-1,3-oxazolidin-2-one
PubChem CID101389240
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name3-[(3S)-3-thiophen-2-ylbutanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](CC(=O)N1CCOC1=O)c1cccs1
InChIInChI=1S/C11H13NO3S/c1-8(9-3-2-6-16-9)7-10(13)12-4-5-15-11(12)14/h2-3,6,8H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyBBJUXQCDGBRXRT-QMMMGPOBSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-Thiophen-3-ylhexanoyl)-1,3-oxazolidin-2-one
CID 132141180
3-(3-Methylthiophen-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,5-dione
CID 171346967
3-(2-(2-Thienyl)ethyl)-2,4-oxazolidenedione
CID 125029
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one
CID 71857990
(2S)-2-methyl-1-pyrrolidin-1-yl-3-thiophen-2-ylpropan-1-one
CID 97979229
N-(2-(2-(2,5-dioxopyrrolidin-1-yl)ethoxy)ethyl)-3-(3-methylthiophen-2-yl)propanamide
CID 122246815
Tert-butyl 2-oxo-4-[5-(trifluoromethyl)thiophen-2-yl]pyrrolidine-1-carboxylate
CID 19105090
Sarcosine, N-(2-thiophenylacetyl)-, isobutyl ester
CID 91699227
4-tert-butyl-3-[(3R)-3-thiophen-3-ylbutanoyl]-1,3-oxazolidin-2-one
CID 134969565
3-[(2R)-2-thiophen-3-ylpropanoyl]-1,3-oxazolidin-2-one
CID 135041067
3-[(2S,3R)-2-(dimethylamino)-3-thiophen-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 146166989
Ethyl 4-(2-(thiophen-2-yl)cyclopropanecarbonyl)piperazine-1-carboxylate
CID 45588024

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-thiophen-2-ylbutanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3S)-3-thiophen-2-ylbutanoyl]-1,3-oxazolidin-2-one (CID 101389240) is 3-[(3S)-3-thiophen-2-ylbutanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3S)-3-thiophen-2-ylbutanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3S)-3-thiophen-2-ylbutanoyl]-1,3-oxazolidin-2-one is C[C@@H](CC(=O)N1CCOC1=O)c1cccs1.
What is the InChIKey of 3-[(3S)-3-thiophen-2-ylbutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is BBJUXQCDGBRXRT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-8(9-3-2-6-16-9)7-10(13)12-4-5-15-11(12)14/h2-3,6,8H,4-5,7H2,1H3/t8-/m0/s1.
What are the key properties of 3-[(3S)-3-thiophen-2-ylbutanoyl]-1,3-oxazolidin-2-one?
3-[(3S)-3-thiophen-2-ylbutanoyl]-1,3-oxazolidin-2-one has a molecular weight of 239.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-thiophen-2-ylbutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101389240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).