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

C12H23N3O2 — CID 60775229

IUPAC2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C12H23N3O2/c1-5-6-15(7-8-16)9-10-13-11(17-14-10)12(2,3)4/h16H,5-9H2,1-4H3
InChIKeyBDHIQXVSDQEVSN-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.57
Rot. Bonds6

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

2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol (PubChem CID 60775229) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol
PubChem CID60775229
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C12H23N3O2/c1-5-6-15(7-8-16)9-10-13-11(17-14-10)12(2,3)4/h16H,5-9H2,1-4H3
InChIKeyBDHIQXVSDQEVSN-UHFFFAOYSA-N
XLogP1.57
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)-1-propylurea
CID 111619379
2-[butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 60968468
N'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79668122
2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 60775128
4-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine
CID 79117293
2-[1,2,4-oxadiazol-3-ylmethyl(propyl)amino]ethanol
CID 62014255
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62022852
2-[butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 61360390
2-[butyl-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
CID 62015618
2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol
CID 110903094
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanol
CID 43502552
1-benzyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)urea
CID 111619386

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol (CID 60775229) is 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol is CCCN(CCO)Cc1noc(C(C)(C)C)n1.
What is the InChIKey of 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol?
The InChIKey is BDHIQXVSDQEVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-5-6-15(7-8-16)9-10-13-11(17-14-10)12(2,3)4/h16H,5-9H2,1-4H3.
What are the key properties of 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol?
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol has a molecular weight of 241.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol is sourced from PubChem (CID 60775229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).