3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyloxolan-3-amine

C10H15N3O2 — CID 82719440

IUPAC3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyloxolan-3-amine
SMILESCC1OCCC1(N)c1noc(C2CC2)n1
InChIInChI=1S/C10H15N3O2/c1-6-10(11,4-5-14-6)9-12-8(15-13-9)7-2-3-7/h6-7H,2-5,11H2,1H3
InChIKeyMCTOXDAZNYOTJF-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.91
Rot. Bonds2

About 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyloxolan-3-amine

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyloxolan-3-amine (PubChem CID 82719440) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyloxolan-3-amine.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyloxolan-3-amine
PubChem CID82719440
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyloxolan-3-amine
SMILESCC1OCCC1(N)c1noc(C2CC2)n1
InChIInChI=1S/C10H15N3O2/c1-6-10(11,4-5-14-6)9-12-8(15-13-9)7-2-3-7/h6-7H,2-5,11H2,1H3
InChIKeyMCTOXDAZNYOTJF-UHFFFAOYSA-N
XLogP0.91
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyloxolan-3-amine?
The IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyloxolan-3-amine (CID 82719440) is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyloxolan-3-amine.
What is the SMILES notation for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyloxolan-3-amine?
The canonical SMILES for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyloxolan-3-amine is CC1OCCC1(N)c1noc(C2CC2)n1.
What is the InChIKey of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyloxolan-3-amine?
The InChIKey is MCTOXDAZNYOTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-10(11,4-5-14-6)9-12-8(15-13-9)7-2-3-7/h6-7H,2-5,11H2,1H3.
What are the key properties of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyloxolan-3-amine?
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyloxolan-3-amine has a molecular weight of 209.25 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyloxolan-3-amine is sourced from PubChem (CID 82719440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).