2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide

C11H20N4O3S — CID 9377450

IUPAC2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CSc1nnc(CN(C)C)o1
InChIInChI=1S/C11H20N4O3S/c1-15(2)7-10-13-14-11(18-10)19-8-9(16)12-5-4-6-17-3/h4-8H2,1-3H3,(H,12,16)
InChIKeyVMOIOSNSEWOQGH-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.38
Rot. Bonds9

About 2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide

2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide (PubChem CID 9377450) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
PubChem CID9377450
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CSc1nnc(CN(C)C)o1
InChIInChI=1S/C11H20N4O3S/c1-15(2)7-10-13-14-11(18-10)19-8-9(16)12-5-4-6-17-3/h4-8H2,1-3H3,(H,12,16)
InChIKeyVMOIOSNSEWOQGH-UHFFFAOYSA-N
XLogP0.38
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 24574331
ethyl 5-[2-(3-methoxypropylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazole-2-carboxylate
CID 116699770
2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide
CID 9373561
N-[[5-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7205193
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 8663213
2-[[5-[(1R)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 9374757
2-[[5-[(3S)-1,1-dioxothiolan-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 9388951
2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 2482377
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 51261076
2-[[5-[2-(3-methoxypropylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 24574236
N-(2-methoxyethyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7658202
N-butyl-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78763983

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide (CID 9377450) is 2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CSc1nnc(CN(C)C)o1.
What is the InChIKey of 2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide?
The InChIKey is VMOIOSNSEWOQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-15(2)7-10-13-14-11(18-10)19-8-9(16)12-5-4-6-17-3/h4-8H2,1-3H3,(H,12,16).
What are the key properties of 2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide?
2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide has a molecular weight of 288.37 g/mol, XLogP of 0.38, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 9377450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).