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

C9H13N3O3S — CID 43502553

IUPACN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide
SMILESO=C(CSCCO)Nc1nnc(C2CC2)o1
InChIInChI=1S/C9H13N3O3S/c13-3-4-16-5-7(14)10-9-12-11-8(15-9)6-1-2-6/h6,13H,1-5H2,(H,10,12,14)
InChIKeyYPLILRUMZXBGPY-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.61
Rot. Bonds6

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

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide (PubChem CID 43502553) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide
PubChem CID43502553
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide
SMILESO=C(CSCCO)Nc1nnc(C2CC2)o1
InChIInChI=1S/C9H13N3O3S/c13-3-4-16-5-7(14)10-9-12-11-8(15-9)6-1-2-6/h6,13H,1-5H2,(H,10,12,14)
InChIKeyYPLILRUMZXBGPY-UHFFFAOYSA-N
XLogP0.61
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.61
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 N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide (CID 43502553) is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide is O=C(CSCCO)Nc1nnc(C2CC2)o1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide?
The InChIKey is YPLILRUMZXBGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c13-3-4-16-5-7(14)10-9-12-11-8(15-9)6-1-2-6/h6,13H,1-5H2,(H,10,12,14).
What are the key properties of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide?
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide has a molecular weight of 243.29 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide is sourced from PubChem (CID 43502553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).