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

C11H17N3O3S — CID 9373561

IUPAC2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CSc1nnc(C2CC2)o1
InChIInChI=1S/C11H17N3O3S/c1-16-6-2-5-12-9(15)7-18-11-14-13-10(17-11)8-3-4-8/h8H,2-7H2,1H3,(H,12,15)
InChIKeyHQMRNAXLJYWEKU-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.19
Rot. Bonds8

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

2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide (PubChem CID 9373561) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide
PubChem CID9373561
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CSc1nnc(C2CC2)o1
InChIInChI=1S/C11H17N3O3S/c1-16-6-2-5-12-9(15)7-18-11-14-13-10(17-11)8-3-4-8/h8H,2-7H2,1H3,(H,12,15)
InChIKeyHQMRNAXLJYWEKU-UHFFFAOYSA-N
XLogP1.19
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-[(3S)-1,1-dioxothiolan-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 9388951
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-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 9377450
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 8663213
2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxypropyl)acetamide
CID 37048628
methyl 3-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
CID 23006669
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
2-[[5-[(1R)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 9374757
2-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
CID 62590738
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide
CID 8582035

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide (CID 9373561) is 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CSc1nnc(C2CC2)o1.
What is the InChIKey of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide?
The InChIKey is HQMRNAXLJYWEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-16-6-2-5-12-9(15)7-18-11-14-13-10(17-11)8-3-4-8/h8H,2-7H2,1H3,(H,12,15).
What are the key properties of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide?
2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide has a molecular weight of 271.34 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 9373561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).