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

C13H17N3O3S — CID 851238

IUPACN,N-diethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCCN(CC)C(=O)CCSc1nnc(-c2ccco2)o1
InChIInChI=1S/C13H17N3O3S/c1-3-16(4-2)11(17)7-9-20-13-15-14-12(19-13)10-6-5-8-18-10/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyOJJCBPXERHKISM-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.68
Rot. Bonds7

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

N,N-diethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 851238) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N,N-diethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID851238
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN,N-diethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCCN(CC)C(=O)CCSc1nnc(-c2ccco2)o1
InChIInChI=1S/C13H17N3O3S/c1-3-16(4-2)11(17)7-9-20-13-15-14-12(19-13)10-6-5-8-18-10/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyOJJCBPXERHKISM-UHFFFAOYSA-N
XLogP2.68
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N,N-diethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 851238) is N,N-diethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N,N-diethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N,N-diethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is CCN(CC)C(=O)CCSc1nnc(-c2ccco2)o1.
What is the InChIKey of N,N-diethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is OJJCBPXERHKISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-16(4-2)11(17)7-9-20-13-15-14-12(19-13)10-6-5-8-18-10/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of N,N-diethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
N,N-diethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 295.36 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 851238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).