2-(2-hydroxyethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide

C9H15N3O3S — CID 43502591

IUPAC2-(2-hydroxyethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CSCCO)o1
InChIInChI=1S/C9H15N3O3S/c1-6(2)8-11-12-9(15-8)10-7(14)5-16-4-3-13/h6,13H,3-5H2,1-2H3,(H,10,12,14)
InChIKeyWEXIWVLIQVNTSW-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.86
Rot. Bonds6

About 2-(2-hydroxyethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide

2-(2-hydroxyethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 43502591) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID43502591
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name2-(2-hydroxyethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CSCCO)o1
InChIInChI=1S/C9H15N3O3S/c1-6(2)8-11-12-9(15-8)10-7(14)5-16-4-3-13/h6,13H,3-5H2,1-2H3,(H,10,12,14)
InChIKeyWEXIWVLIQVNTSW-UHFFFAOYSA-N
XLogP0.86
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
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-(2-hydroxyethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 43502591) is 2-(2-hydroxyethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-hydroxyethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-hydroxyethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)CSCCO)o1.
What is the InChIKey of 2-(2-hydroxyethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is WEXIWVLIQVNTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-6(2)8-11-12-9(15-8)10-7(14)5-16-4-3-13/h6,13H,3-5H2,1-2H3,(H,10,12,14).
What are the key properties of 2-(2-hydroxyethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
2-(2-hydroxyethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 245.30 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 43502591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).