1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine

C11H19N3O2 — CID 65159893

IUPAC1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(C2C(C)OC(C)C2C)o1
InChIInChI=1S/C11H19N3O2/c1-5-7(3)15-8(4)9(5)11-14-13-10(16-11)6(2)12/h5-9H,12H2,1-4H3
InChIKeyPAZIXZYRYVTWHQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.62
Rot. Bonds2

About 1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine

1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 65159893) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID65159893
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(C2C(C)OC(C)C2C)o1
InChIInChI=1S/C11H19N3O2/c1-5-7(3)15-8(4)9(5)11-14-13-10(16-11)6(2)12/h5-9H,12H2,1-4H3
InChIKeyPAZIXZYRYVTWHQ-UHFFFAOYSA-N
XLogP1.62
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 65159843
1-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 81327802
1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62072169
1-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62719072
1-[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62070959
1-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 80595566
1-(5-piperazin-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 130806084
1-(5-chloro-1,3,4-oxadiazol-2-yl)ethanamine
CID 84649192
(1S)-1-[5-[(2S)-butan-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 94344079
1-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 79213402
[(2S,5R)-2-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 118463444
(1S)-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride
CID 52995250

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 65159893) is 1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CC(N)c1nnc(C2C(C)OC(C)C2C)o1.
What is the InChIKey of 1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is PAZIXZYRYVTWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-7(3)15-8(4)9(5)11-14-13-10(16-11)6(2)12/h5-9H,12H2,1-4H3.
What are the key properties of 1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 225.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 65159893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).