N-(2,2-diethyloxan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine

C12H21N3O2 — CID 106659872

IUPACN-(2,2-diethyloxan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCCC1(CC)CC(Nc2nc(C)no2)CCO1
InChIInChI=1S/C12H21N3O2/c1-4-12(5-2)8-10(6-7-16-12)14-11-13-9(3)15-17-11/h10H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyLDCYZIVTZGVNRB-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.53
Rot. Bonds4

About N-(2,2-diethyloxan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine

N-(2,2-diethyloxan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 106659872) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine
PubChem CID106659872
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(2,2-diethyloxan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCCC1(CC)CC(Nc2nc(C)no2)CCO1
InChIInChI=1S/C12H21N3O2/c1-4-12(5-2)8-10(6-7-16-12)14-11-13-9(3)15-17-11/h10H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyLDCYZIVTZGVNRB-UHFFFAOYSA-N
XLogP2.53
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine (CID 106659872) is N-(2,2-diethyloxan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine is CCC1(CC)CC(Nc2nc(C)no2)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is LDCYZIVTZGVNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-12(5-2)8-10(6-7-16-12)14-11-13-9(3)15-17-11/h10H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of N-(2,2-diethyloxan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine?
N-(2,2-diethyloxan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 239.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 106659872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).