2-[butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol

C11H21N3O2 — CID 62016195

IUPAC2-[butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1nnc(CC)o1
InChIInChI=1S/C11H21N3O2/c1-3-5-6-14(7-8-15)9-11-13-12-10(4-2)16-11/h15H,3-9H2,1-2H3
InChIKeyUHCKBLDLHMEHDP-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.23
Rot. Bonds8

About 2-[butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol

2-[butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol (PubChem CID 62016195) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
PubChem CID62016195
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-[butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1nnc(CC)o1
InChIInChI=1S/C11H21N3O2/c1-3-5-6-14(7-8-15)9-11-13-12-10(4-2)16-11/h15H,3-9H2,1-2H3
InChIKeyUHCKBLDLHMEHDP-UHFFFAOYSA-N
XLogP1.23
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol (CID 62016195) is 2-[butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol is CCCCN(CCO)Cc1nnc(CC)o1.
What is the InChIKey of 2-[butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol?
The InChIKey is UHCKBLDLHMEHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-5-6-14(7-8-15)9-11-13-12-10(4-2)16-11/h15H,3-9H2,1-2H3.
What are the key properties of 2-[butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol?
2-[butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol has a molecular weight of 227.31 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 62016195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).