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

C10H19N3O2 — CID 60968468

IUPAC2-[butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1noc(C)n1
InChIInChI=1S/C10H19N3O2/c1-3-4-5-13(6-7-14)8-10-11-9(2)15-12-10/h14H,3-8H2,1-2H3
InChIKeyNECNOKPWWCHJCL-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.97
Rot. Bonds7

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

2-[butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol (PubChem CID 60968468) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
PubChem CID60968468
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-[butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1noc(C)n1
InChIInChI=1S/C10H19N3O2/c1-3-4-5-13(6-7-14)8-10-11-9(2)15-12-10/h14H,3-8H2,1-2H3
InChIKeyNECNOKPWWCHJCL-UHFFFAOYSA-N
XLogP0.97
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxyethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 111103242
2-[butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 61360390
2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol
CID 110903094
2-[butyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol
CID 60689088
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol
CID 60775229
2-[butyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]ethanol
CID 60968327
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112469
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62022852
2-[cyclopentyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 62015042
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 60775128

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol?
The IUPAC name of 2-[butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol (CID 60968468) is 2-[butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol is CCCCN(CCO)Cc1noc(C)n1.
What is the InChIKey of 2-[butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol?
The InChIKey is NECNOKPWWCHJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-3-4-5-13(6-7-14)8-10-11-9(2)15-12-10/h14H,3-8H2,1-2H3.
What are the key properties of 2-[butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol?
2-[butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol has a molecular weight of 213.28 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 60968468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).