N-(1,2-oxazol-5-ylmethyl)-2-thiomorpholin-3-ylacetamide

C10H15N3O2S — CID 106417266

IUPACN-(1,2-oxazol-5-ylmethyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCc1ccno1
InChIInChI=1S/C10H15N3O2S/c14-10(5-8-7-16-4-3-11-8)12-6-9-1-2-13-15-9/h1-2,8,11H,3-7H2,(H,12,14)
InChIKeyHQVWBONFORVQKC-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.39
Rot. Bonds4

About N-(1,2-oxazol-5-ylmethyl)-2-thiomorpholin-3-ylacetamide

N-(1,2-oxazol-5-ylmethyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 106417266) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-2-thiomorpholin-3-ylacetamide
PubChem CID106417266
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCc1ccno1
InChIInChI=1S/C10H15N3O2S/c14-10(5-8-7-16-4-3-11-8)12-6-9-1-2-13-15-9/h1-2,8,11H,3-7H2,(H,12,14)
InChIKeyHQVWBONFORVQKC-UHFFFAOYSA-N
XLogP0.39
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyrimidin-4-ylmethyl)-2-thiomorpholin-3-ylacetamide
CID 114110925
2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide
CID 66422898
N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 103821107
N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422864
N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601
N-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 114700218
2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 119935770
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421681
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119940374
N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119937953
N-[(4-pyrazol-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936845
N-(6-oxo-1H-pyridazin-3-yl)-2-thiomorpholin-3-ylacetamide
CID 116787040

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-2-thiomorpholin-3-ylacetamide (CID 106417266) is N-(1,2-oxazol-5-ylmethyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCc1ccno1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is HQVWBONFORVQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c14-10(5-8-7-16-4-3-11-8)12-6-9-1-2-13-15-9/h1-2,8,11H,3-7H2,(H,12,14).
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-2-thiomorpholin-3-ylacetamide?
N-(1,2-oxazol-5-ylmethyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 241.32 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 106417266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).