N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide

C12H19N3O2S — CID 66421619

IUPACN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1cc(CN(C)C(=O)CC2CSCCN2)no1
InChIInChI=1S/C12H19N3O2S/c1-9-5-10(14-17-9)7-15(2)12(16)6-11-8-18-4-3-13-11/h5,11,13H,3-4,6-8H2,1-2H3
InChIKeyBWWWXFFWKBPFFH-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.04
Rot. Bonds4

About N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide

N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 66421619) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID66421619
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1cc(CN(C)C(=O)CC2CSCCN2)no1
InChIInChI=1S/C12H19N3O2S/c1-9-5-10(14-17-9)7-15(2)12(16)6-11-8-18-4-3-13-11/h5,11,13H,3-4,6-8H2,1-2H3
InChIKeyBWWWXFFWKBPFFH-UHFFFAOYSA-N
XLogP1.04
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421859
N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422882
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422308
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422444
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940798
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935303
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119292510
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66420085
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935281
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935259

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide (CID 66421619) is N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide is Cc1cc(CN(C)C(=O)CC2CSCCN2)no1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is BWWWXFFWKBPFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9-5-10(14-17-9)7-15(2)12(16)6-11-8-18-4-3-13-11/h5,11,13H,3-4,6-8H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide?
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 269.37 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66421619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).