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

C10H15N3O3S — CID 9117704

IUPAC2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1nnc(C2CC2)o1
InChIInChI=1S/C10H15N3O3S/c1-15-5-4-11-8(14)6-17-10-13-12-9(16-10)7-2-3-7/h7H,2-6H2,1H3,(H,11,14)
InChIKeyQCMWNGALWFTKPE-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.80
Rot. Bonds7

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

2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide (PubChem CID 9117704) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
PubChem CID9117704
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1nnc(C2CC2)o1
InChIInChI=1S/C10H15N3O3S/c1-15-5-4-11-8(14)6-17-10-13-12-9(16-10)7-2-3-7/h7H,2-6H2,1H3,(H,11,14)
InChIKeyQCMWNGALWFTKPE-UHFFFAOYSA-N
XLogP0.80
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.80
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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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide (CID 9117704) is 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CSc1nnc(C2CC2)o1.
What is the InChIKey of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is QCMWNGALWFTKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-15-5-4-11-8(14)6-17-10-13-12-9(16-10)7-2-3-7/h7H,2-6H2,1H3,(H,11,14).
What are the key properties of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 257.31 g/mol, XLogP of 0.80, 7 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-(2-methoxyethyl)acetamide is sourced from PubChem (CID 9117704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).