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

C11H20N4O2 — CID 106964634

IUPAC5-(ethylaminomethyl)-N-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(NC2(C)CCOCC2)o1
InChIInChI=1S/C11H20N4O2/c1-3-12-8-9-14-15-10(17-9)13-11(2)4-6-16-7-5-11/h12H,3-8H2,1-2H3,(H,13,15)
InChIKeyKZPXYNKHZYLODQ-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.16
Rot. Bonds5

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

5-(ethylaminomethyl)-N-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106964634) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106964634
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name5-(ethylaminomethyl)-N-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(NC2(C)CCOCC2)o1
InChIInChI=1S/C11H20N4O2/c1-3-12-8-9-14-15-10(17-9)13-11(2)4-6-16-7-5-11/h12H,3-8H2,1-2H3,(H,13,15)
InChIKeyKZPXYNKHZYLODQ-UHFFFAOYSA-N
XLogP1.16
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-amine (CID 106964634) is 5-(ethylaminomethyl)-N-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-amine is CCNCc1nnc(NC2(C)CCOCC2)o1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is KZPXYNKHZYLODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-12-8-9-14-15-10(17-9)13-11(2)4-6-16-7-5-11/h12H,3-8H2,1-2H3,(H,13,15).
What are the key properties of 5-(ethylaminomethyl)-N-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-amine?
5-(ethylaminomethyl)-N-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 240.31 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).