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

C11H13N3O3S — CID 851239

IUPACN-ethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCCNC(=O)CCSc1nnc(-c2ccco2)o1
InChIInChI=1S/C11H13N3O3S/c1-2-12-9(15)5-7-18-11-14-13-10(17-11)8-4-3-6-16-8/h3-4,6H,2,5,7H2,1H3,(H,12,15)
InChIKeyCRRHYKRZIARPAE-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.95
Rot. Bonds6

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

N-ethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 851239) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-ethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID851239
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-ethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCCNC(=O)CCSc1nnc(-c2ccco2)o1
InChIInChI=1S/C11H13N3O3S/c1-2-12-9(15)5-7-18-11-14-13-10(17-11)8-4-3-6-16-8/h3-4,6H,2,5,7H2,1H3,(H,12,15)
InChIKeyCRRHYKRZIARPAE-UHFFFAOYSA-N
XLogP1.95
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-((5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl)sulfanyl)acetic acid
CID 912122
3-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N,N-dimethylpropanamide
CID 851237
5-(2-Furyl)-1,3,4-oxadiazol-2-yl 3-(4-morpholinyl)-3-oxopropyl sulfide
CID 851240
2-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-oxo-2-phenylethyl)acetamide
CID 570879
2-{[5-(2-Furyl)-1,3,4-oxadiazol-2-yl]thio}-1-(5-methyl-2-furyl)ethanone
CID 676148
N-bicyclo[2.2.1]hept-2-yl-2-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetamide
CID 2981851
N-[(5-{[2-(cyclopentylamino)-2-oxoethyl]thio}-1,3,4-oxadiazol-2-yl)methyl]-2-furamide
CID 3242346
N,N-diethyl-3-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]thio}propanamide
CID 851238
N-(tert-butyl)-3-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanamide
CID 851243
2-[[5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone
CID 851245
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 861916
2-((5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl)thio)-1-(2-methylpiperidin-1-yl)ethanone
CID 4325349

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-ethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 851239) is N-ethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-ethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-ethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is CCNC(=O)CCSc1nnc(-c2ccco2)o1.
What is the InChIKey of N-ethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is CRRHYKRZIARPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-2-12-9(15)5-7-18-11-14-13-10(17-11)8-4-3-6-16-8/h3-4,6H,2,5,7H2,1H3,(H,12,15).
What are the key properties of N-ethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
N-ethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 267.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 851239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).