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

C13H17N3O3S — CID 851243

IUPACN-tert-butyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCC(C)(C)NC(=O)CCSc1nnc(-c2ccco2)o1
InChIInChI=1S/C13H17N3O3S/c1-13(2,3)14-10(17)6-8-20-12-16-15-11(19-12)9-5-4-7-18-9/h4-5,7H,6,8H2,1-3H3,(H,14,17)
InChIKeyGEMPCNCYXDDGHP-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.73
Rot. Bonds5

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

N-tert-butyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 851243) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-tert-butyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID851243
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-tert-butyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCC(C)(C)NC(=O)CCSc1nnc(-c2ccco2)o1
InChIInChI=1S/C13H17N3O3S/c1-13(2,3)14-10(17)6-8-20-12-16-15-11(19-12)9-5-4-7-18-9/h4-5,7H,6,8H2,1-3H3,(H,14,17)
InChIKeyGEMPCNCYXDDGHP-UHFFFAOYSA-N
XLogP2.73
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
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-tert-butyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-tert-butyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 851243) is N-tert-butyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-tert-butyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-tert-butyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is CC(C)(C)NC(=O)CCSc1nnc(-c2ccco2)o1.
What is the InChIKey of N-tert-butyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is GEMPCNCYXDDGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-13(2,3)14-10(17)6-8-20-12-16-15-11(19-12)9-5-4-7-18-9/h4-5,7H,6,8H2,1-3H3,(H,14,17).
What are the key properties of N-tert-butyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
N-tert-butyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 295.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 851243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).