3-(2-methyloxan-2-yl)-N-propyl-1,2,4-oxadiazol-5-amine

C11H19N3O2 — CID 80681808

IUPAC3-(2-methyloxan-2-yl)-N-propyl-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(C2(C)CCCCO2)no1
InChIInChI=1S/C11H19N3O2/c1-3-7-12-10-13-9(14-16-10)11(2)6-4-5-8-15-11/h3-8H2,1-2H3,(H,12,13,14)
InChIKeyZJTHSPYLOPVDJJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.31
Rot. Bonds4

About 3-(2-methyloxan-2-yl)-N-propyl-1,2,4-oxadiazol-5-amine

3-(2-methyloxan-2-yl)-N-propyl-1,2,4-oxadiazol-5-amine (PubChem CID 80681808) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(2-methyloxan-2-yl)-N-propyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2-methyloxan-2-yl)-N-propyl-1,2,4-oxadiazol-5-amine
PubChem CID80681808
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-(2-methyloxan-2-yl)-N-propyl-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(C2(C)CCCCO2)no1
InChIInChI=1S/C11H19N3O2/c1-3-7-12-10-13-9(14-16-10)11(2)6-4-5-8-15-11/h3-8H2,1-2H3,(H,12,13,14)
InChIKeyZJTHSPYLOPVDJJ-UHFFFAOYSA-N
XLogP2.31
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyloxan-2-yl)-N-propyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2-methyloxan-2-yl)-N-propyl-1,2,4-oxadiazol-5-amine (CID 80681808) is 3-(2-methyloxan-2-yl)-N-propyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2-methyloxan-2-yl)-N-propyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2-methyloxan-2-yl)-N-propyl-1,2,4-oxadiazol-5-amine is CCCNc1nc(C2(C)CCCCO2)no1.
What is the InChIKey of 3-(2-methyloxan-2-yl)-N-propyl-1,2,4-oxadiazol-5-amine?
The InChIKey is ZJTHSPYLOPVDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-7-12-10-13-9(14-16-10)11(2)6-4-5-8-15-11/h3-8H2,1-2H3,(H,12,13,14).
What are the key properties of 3-(2-methyloxan-2-yl)-N-propyl-1,2,4-oxadiazol-5-amine?
3-(2-methyloxan-2-yl)-N-propyl-1,2,4-oxadiazol-5-amine has a molecular weight of 225.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyloxan-2-yl)-N-propyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 80681808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).