3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

C10H17N3O2 — CID 64889399

IUPAC3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCC(C)Cc1noc(C2(N)CCOC2)n1
InChIInChI=1S/C10H17N3O2/c1-7(2)5-8-12-9(15-13-8)10(11)3-4-14-6-10/h7H,3-6,11H2,1-2H3
InChIKeyHWVFLLFCAKROBS-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.84
Rot. Bonds3

About 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 64889399) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID64889399
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCC(C)Cc1noc(C2(N)CCOC2)n1
InChIInChI=1S/C10H17N3O2/c1-7(2)5-8-12-9(15-13-8)10(11)3-4-14-6-10/h7H,3-6,11H2,1-2H3
InChIKeyHWVFLLFCAKROBS-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Oxolan-3-yl)-3-(propan-2-yloxymethyl)-1,2,4-oxadiazole
CID 75420782
1-(5-(Oxolan-3-yl)-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine hydrochloride
CID 71756854
4-(3-Methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine hydrochloride
CID 137832736
4-(3-Ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine hydrochloride
CID 137832747
4-[3-(Oxan-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine hydrochloride
CID 138039477
N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide
CID 126821643
3-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 64887875
1,1,1-Trifluoro-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79797899
3-[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 79953537
3-[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 82007701
3-[3-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 103146146
2-[3-[2-(2,2-Difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103146209

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 64889399) is 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is CC(C)Cc1noc(C2(N)CCOC2)n1.
What is the InChIKey of 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is HWVFLLFCAKROBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)5-8-12-9(15-13-8)10(11)3-4-14-6-10/h7H,3-6,11H2,1-2H3.
What are the key properties of 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 211.26 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 64889399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).