3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one

C13H15N3O4S — CID 851240

IUPAC3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCSc1nnc(-c2ccco2)o1)N1CCOCC1
InChIInChI=1S/C13H15N3O4S/c17-11(16-4-7-18-8-5-16)3-9-21-13-15-14-12(20-13)10-2-1-6-19-10/h1-2,6H,3-5,7-9H2
InChIKeyKOSLEHYGXXDMCH-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.67
Rot. Bonds5

About 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one

3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one (PubChem CID 851240) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one
PubChem CID851240
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCSc1nnc(-c2ccco2)o1)N1CCOCC1
InChIInChI=1S/C13H15N3O4S/c17-11(16-4-7-18-8-5-16)3-9-21-13-15-14-12(20-13)10-2-1-6-19-10/h1-2,6H,3-5,7-9H2
InChIKeyKOSLEHYGXXDMCH-UHFFFAOYSA-N
XLogP1.67
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one with MolForge

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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
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-ethyl-3-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanamide
CID 851239
2-[[5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 2155765
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
1-(3,5-Dimethylpiperidin-1-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 5032599

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one (CID 851240) is 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one is O=C(CCSc1nnc(-c2ccco2)o1)N1CCOCC1.
What is the InChIKey of 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is KOSLEHYGXXDMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c17-11(16-4-7-18-8-5-16)3-9-21-13-15-14-12(20-13)10-2-1-6-19-10/h1-2,6H,3-5,7-9H2.
What are the key properties of 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one?
3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 309.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 851240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).