N-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine

C11H19N3O2 — CID 65159673

IUPACN-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCCNCc1noc(CCC2CCCO2)n1
InChIInChI=1S/C11H19N3O2/c1-2-12-8-10-13-11(16-14-10)6-5-9-4-3-7-15-9/h9,12H,2-8H2,1H3
InChIKeyWKPKBMRNDCYIEZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.29
Rot. Bonds6

About N-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine

N-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine (PubChem CID 65159673) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine
PubChem CID65159673
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCCNCc1noc(CCC2CCCO2)n1
InChIInChI=1S/C11H19N3O2/c1-2-12-8-10-13-11(16-14-10)6-5-9-4-3-7-15-9/h9,12H,2-8H2,1H3
InChIKeyWKPKBMRNDCYIEZ-UHFFFAOYSA-N
XLogP1.29
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methanol
CID 102660318
1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096278
3-iodo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazole
CID 112572494
N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]ethanamine
CID 79144689
N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 65427563
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 104871455
N-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115078241
1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852435
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60722213
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61039973
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162
5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 43513448

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine (CID 65159673) is N-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine is CCNCc1noc(CCC2CCCO2)n1.
What is the InChIKey of N-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The InChIKey is WKPKBMRNDCYIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-12-8-10-13-11(16-14-10)6-5-9-4-3-7-15-9/h9,12H,2-8H2,1H3.
What are the key properties of N-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
N-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine has a molecular weight of 225.29 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 65159673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).