2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C11H16N2O3S — CID 112737307

IUPAC2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN1C[C@@H](O)CO1
InChIInChI=1S/C11H16N2O3S/c1-12(4-9-2-3-17-8-9)11(15)6-13-5-10(14)7-16-13/h2-3,8,10,14H,4-7H2,1H3/t10-/m1/s1
InChIKeyPDWSLQUSYXXLHR-SNVBAGLBSA-N
MW256.33 g/mol
LogP0.31
Rot. Bonds4

About 2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 112737307) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID112737307
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN1C[C@@H](O)CO1
InChIInChI=1S/C11H16N2O3S/c1-12(4-9-2-3-17-8-9)11(15)6-13-5-10(14)7-16-13/h2-3,8,10,14H,4-7H2,1H3/t10-/m1/s1
InChIKeyPDWSLQUSYXXLHR-SNVBAGLBSA-N
XLogP0.31
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 43162389
1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441613
methyl 4-hydroxy-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 115971613
2-(4-formylpiperidin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62654113
N-methyl-2-[4-(methylaminomethyl)piperidin-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 63248532
2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 102977518
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62357316
N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 8595309
2-(2-formylpiperidin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 55099979
2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 72901682
2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 97279676
2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 66186907

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 112737307) is 2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)CN1C[C@@H](O)CO1.
What is the InChIKey of 2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is PDWSLQUSYXXLHR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-12(4-9-2-3-17-8-9)11(15)6-13-5-10(14)7-16-13/h2-3,8,10,14H,4-7H2,1H3/t10-/m1/s1.
What are the key properties of 2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 256.33 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 112737307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).