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

C13H25N3O2 — CID 62015618

IUPAC2-[butyl-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1nnc(C(C)(C)C)o1
InChIInChI=1S/C13H25N3O2/c1-5-6-7-16(8-9-17)10-11-14-15-12(18-11)13(2,3)4/h17H,5-10H2,1-4H3
InChIKeyBFKLIVXWLYKIKW-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.96
Rot. Bonds7

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

2-[butyl-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol (PubChem CID 62015618) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[butyl-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
PubChem CID62015618
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[butyl-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1nnc(C(C)(C)C)o1
InChIInChI=1S/C13H25N3O2/c1-5-6-7-16(8-9-17)10-11-14-15-12(18-11)13(2,3)4/h17H,5-10H2,1-4H3
InChIKeyBFKLIVXWLYKIKW-UHFFFAOYSA-N
XLogP1.96
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103856771
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]ethanol
CID 115631711
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485716
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]ethanol
CID 62020627
2-[butyl-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol
CID 60689039
2-[butyl-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol
CID 111461881
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-propylamino]-N-propylacetamide
CID 87015031
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-butylamino]ethanol
CID 60689002
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol
CID 60775229
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpropan-1-amine
CID 110651557
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[butyl-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol (CID 62015618) is 2-[butyl-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol is CCCCN(CCO)Cc1nnc(C(C)(C)C)o1.
What is the InChIKey of 2-[butyl-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol?
The InChIKey is BFKLIVXWLYKIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-5-6-7-16(8-9-17)10-11-14-15-12(18-11)13(2,3)4/h17H,5-10H2,1-4H3.
What are the key properties of 2-[butyl-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol?
2-[butyl-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol has a molecular weight of 255.36 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 62015618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).