3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide

C11H13N3O3S — CID 851237

IUPAC3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCSc1nnc(-c2ccco2)o1
InChIInChI=1S/C11H13N3O3S/c1-14(2)9(15)5-7-18-11-13-12-10(17-11)8-4-3-6-16-8/h3-4,6H,5,7H2,1-2H3
InChIKeyKQAMTLBULPPKLY-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.90
Rot. Bonds5

About 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide

3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide (PubChem CID 851237) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide
PubChem CID851237
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCSc1nnc(-c2ccco2)o1
InChIInChI=1S/C11H13N3O3S/c1-14(2)9(15)5-7-18-11-13-12-10(17-11)8-4-3-6-16-8/h3-4,6H,5,7H2,1-2H3
InChIKeyKQAMTLBULPPKLY-UHFFFAOYSA-N
XLogP1.90
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide (CID 851237) is 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide is CN(C)C(=O)CCSc1nnc(-c2ccco2)o1.
What is the InChIKey of 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide?
The InChIKey is KQAMTLBULPPKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-14(2)9(15)5-7-18-11-13-12-10(17-11)8-4-3-6-16-8/h3-4,6H,5,7H2,1-2H3.
What are the key properties of 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide?
3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide has a molecular weight of 267.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 851237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).