3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine

C10H17N3O2 — CID 64888058

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
SMILESCC(C)(C)c1noc(C2(N)CCOC2)n1
InChIInChI=1S/C10H17N3O2/c1-9(2,3)7-12-8(15-13-7)10(11)4-5-14-6-10/h4-6,11H2,1-3H3
InChIKeyWAVAPAKGSIBMQU-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.94
Rot. Bonds1

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine (PubChem CID 64888058) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
PubChem CID64888058
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
SMILESCC(C)(C)c1noc(C2(N)CCOC2)n1
InChIInChI=1S/C10H17N3O2/c1-9(2,3)7-12-8(15-13-7)10(11)4-5-14-6-10/h4-6,11H2,1-3H3
InChIKeyWAVAPAKGSIBMQU-UHFFFAOYSA-N
XLogP0.94
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine (CID 64888058) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine is CC(C)(C)c1noc(C2(N)CCOC2)n1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The InChIKey is WAVAPAKGSIBMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-9(2,3)7-12-8(15-13-7)10(11)4-5-14-6-10/h4-6,11H2,1-3H3.
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine has a molecular weight of 211.26 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine is sourced from PubChem (CID 64888058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).