N-(2-bicyclo[2.2.1]heptanyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C15H17N3O3S — CID 2981851

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccco2)o1)NC1CC2CCC1C2
InChIInChI=1S/C15H17N3O3S/c19-13(16-11-7-9-3-4-10(11)6-9)8-22-15-18-17-14(21-15)12-2-1-5-20-12/h1-2,5,9-11H,3-4,6-8H2,(H,16,19)
InChIKeyKWADHRWQUMUBSH-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.73
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(2-bicyclo[2.2.1]heptanyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 2981851) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID2981851
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccco2)o1)NC1CC2CCC1C2
InChIInChI=1S/C15H17N3O3S/c19-13(16-11-7-9-3-4-10(11)6-9)8-22-15-18-17-14(21-15)12-2-1-5-20-12/h1-2,5,9-11H,3-4,6-8H2,(H,16,19)
InChIKeyKWADHRWQUMUBSH-UHFFFAOYSA-N
XLogP2.73
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 2981851) is N-(2-bicyclo[2.2.1]heptanyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(-c2ccco2)o1)NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is KWADHRWQUMUBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c19-13(16-11-7-9-3-4-10(11)6-9)8-22-15-18-17-14(21-15)12-2-1-5-20-12/h1-2,5,9-11H,3-4,6-8H2,(H,16,19).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 319.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2981851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).