2-[1,2,4-oxadiazol-3-ylmethyl(propyl)amino]ethanol

C8H15N3O2 — CID 62014255

IUPAC2-[1,2,4-oxadiazol-3-ylmethyl(propyl)amino]ethanol
SMILESCCCN(CCO)Cc1ncon1
InChIInChI=1S/C8H15N3O2/c1-2-3-11(4-5-12)6-8-9-7-13-10-8/h7,12H,2-6H2,1H3
InChIKeyOBKNZPURBXHNCX-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.27
Rot. Bonds6

About 2-[1,2,4-oxadiazol-3-ylmethyl(propyl)amino]ethanol

2-[1,2,4-oxadiazol-3-ylmethyl(propyl)amino]ethanol (PubChem CID 62014255) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-[1,2,4-oxadiazol-3-ylmethyl(propyl)amino]ethanol.

Molecular Properties

Compound Name2-[1,2,4-oxadiazol-3-ylmethyl(propyl)amino]ethanol
PubChem CID62014255
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name2-[1,2,4-oxadiazol-3-ylmethyl(propyl)amino]ethanol
SMILESCCCN(CCO)Cc1ncon1
InChIInChI=1S/C8H15N3O2/c1-2-3-11(4-5-12)6-8-9-7-13-10-8/h7,12H,2-6H2,1H3
InChIKeyOBKNZPURBXHNCX-UHFFFAOYSA-N
XLogP0.27
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol
CID 60775229
2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 60775128
2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]ethanol
CID 80658221
2-[butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 60968468
2-[(5-bromo-2-pyridinyl)methyl-propylamino]ethanol
CID 115622576
2-[(2-chloro-3-pyridinyl)methyl-propylamino]ethanol
CID 62470914
2-[(5-chlorothiophen-2-yl)methyl-propylamino]ethanol
CID 60692382
2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propylamino]ethanol
CID 60693417
2-[(4-fluorophenyl)methyl-propylamino]ethanol
CID 783658
2-[(2,3,4,5,6-pentafluorophenyl)methyl-propylamino]ethanol
CID 60692253
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-[ethyl(propyl)amino]ethanol
CID 161297591
2-[(5-chlorothiadiazol-4-yl)methyl-propylamino]ethanol
CID 60696603

Frequently Asked Questions

What is the IUPAC name of 2-[1,2,4-oxadiazol-3-ylmethyl(propyl)amino]ethanol?
The IUPAC name of 2-[1,2,4-oxadiazol-3-ylmethyl(propyl)amino]ethanol (CID 62014255) is 2-[1,2,4-oxadiazol-3-ylmethyl(propyl)amino]ethanol.
What is the SMILES notation for 2-[1,2,4-oxadiazol-3-ylmethyl(propyl)amino]ethanol?
The canonical SMILES for 2-[1,2,4-oxadiazol-3-ylmethyl(propyl)amino]ethanol is CCCN(CCO)Cc1ncon1.
What is the InChIKey of 2-[1,2,4-oxadiazol-3-ylmethyl(propyl)amino]ethanol?
The InChIKey is OBKNZPURBXHNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-2-3-11(4-5-12)6-8-9-7-13-10-8/h7,12H,2-6H2,1H3.
What are the key properties of 2-[1,2,4-oxadiazol-3-ylmethyl(propyl)amino]ethanol?
2-[1,2,4-oxadiazol-3-ylmethyl(propyl)amino]ethanol has a molecular weight of 185.23 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2,4-oxadiazol-3-ylmethyl(propyl)amino]ethanol is sourced from PubChem (CID 62014255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).