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

C10H17N3O2 — CID 115027385

IUPAC2-[3-(3-methyloxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC1(c2noc(CCN)n2)CCCOC1
InChIInChI=1S/C10H17N3O2/c1-10(4-2-6-14-7-10)9-12-8(3-5-11)15-13-9/h2-7,11H2,1H3
InChIKeyVISQLXYQMYOLBJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.64
Rot. Bonds3

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

2-[3-(3-methyloxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 115027385) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[3-(3-methyloxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(3-methyloxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID115027385
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[3-(3-methyloxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC1(c2noc(CCN)n2)CCCOC1
InChIInChI=1S/C10H17N3O2/c1-10(4-2-6-14-7-10)9-12-8(3-5-11)15-13-9/h2-7,11H2,1H3
InChIKeyVISQLXYQMYOLBJ-UHFFFAOYSA-N
XLogP0.64
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1-methylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115015955
2-[3-(3-methyloxolan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 115027752
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104609736
4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116743201
2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106828748
3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]oxolan-3-amine
CID 131153675
6-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 116743145
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104880780
1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859920
1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 61353102
2-methoxy-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109316
4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742762

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methyloxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(3-methyloxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 115027385) is 2-[3-(3-methyloxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(3-methyloxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(3-methyloxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is CC1(c2noc(CCN)n2)CCCOC1.
What is the InChIKey of 2-[3-(3-methyloxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is VISQLXYQMYOLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(4-2-6-14-7-10)9-12-8(3-5-11)15-13-9/h2-7,11H2,1H3.
What are the key properties of 2-[3-(3-methyloxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-[3-(3-methyloxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 211.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methyloxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 115027385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).