N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide

C11H15N3O3S — CID 134104628

IUPACN-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2OCC(C)(C)C2=O)cs1
InChIInChI=1S/C11H15N3O3S/c1-7(15)12-10-13-8(5-18-10)4-14-9(16)11(2,3)6-17-14/h5H,4,6H2,1-3H3,(H,12,13,15)
InChIKeyWQNAEZBTCIMAAD-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.40
Rot. Bonds3

About N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 134104628) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID134104628
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2OCC(C)(C)C2=O)cs1
InChIInChI=1S/C11H15N3O3S/c1-7(15)12-10-13-8(5-18-10)4-14-9(16)11(2,3)6-17-14/h5H,4,6H2,1-3H3,(H,12,13,15)
InChIKeyWQNAEZBTCIMAAD-UHFFFAOYSA-N
XLogP1.40
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 134104628) is N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CN2OCC(C)(C)C2=O)cs1.
What is the InChIKey of N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is WQNAEZBTCIMAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-7(15)12-10-13-8(5-18-10)4-14-9(16)11(2,3)6-17-14/h5H,4,6H2,1-3H3,(H,12,13,15).
What are the key properties of N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 269.33 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 134104628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).