2-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylamino]ethanol

C11H15N3O3S — CID 2421309

IUPAC2-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylamino]ethanol
SMILESCc1occc1-c1nnc(SCCNCCO)o1
InChIInChI=1S/C11H15N3O3S/c1-8-9(2-6-16-8)10-13-14-11(17-10)18-7-4-12-3-5-15/h2,6,12,15H,3-5,7H2,1H3
InChIKeyYHHDUPCPDHRLJN-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.31
Rot. Bonds7

About 2-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylamino]ethanol

2-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylamino]ethanol (PubChem CID 2421309) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylamino]ethanol
PubChem CID2421309
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylamino]ethanol
SMILESCc1occc1-c1nnc(SCCNCCO)o1
InChIInChI=1S/C11H15N3O3S/c1-8-9(2-6-16-8)10-13-14-11(17-10)18-7-4-12-3-5-15/h2,6,12,15H,3-5,7H2,1H3
InChIKeyYHHDUPCPDHRLJN-UHFFFAOYSA-N
XLogP1.31
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylamino]ethanol?
The IUPAC name of 2-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylamino]ethanol (CID 2421309) is 2-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylamino]ethanol?
The canonical SMILES for 2-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylamino]ethanol is Cc1occc1-c1nnc(SCCNCCO)o1.
What is the InChIKey of 2-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylamino]ethanol?
The InChIKey is YHHDUPCPDHRLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-8-9(2-6-16-8)10-13-14-11(17-10)18-7-4-12-3-5-15/h2,6,12,15H,3-5,7H2,1H3.
What are the key properties of 2-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylamino]ethanol?
2-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylamino]ethanol has a molecular weight of 269.33 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylamino]ethanol is sourced from PubChem (CID 2421309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).