N-(1-ethylcyclobutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine

C11H20N4O — CID 106964708

IUPACN-(1-ethylcyclobutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCC1(Nc2nnc(C(C)NC)o2)CCC1
InChIInChI=1S/C11H20N4O/c1-4-11(6-5-7-11)13-10-15-14-9(16-10)8(2)12-3/h8,12H,4-7H2,1-3H3,(H,13,15)
InChIKeyFSJVUZDNMKRQBI-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.09
Rot. Bonds5

About N-(1-ethylcyclobutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine

N-(1-ethylcyclobutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106964708) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(1-ethylcyclobutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(1-ethylcyclobutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106964708
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(1-ethylcyclobutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCC1(Nc2nnc(C(C)NC)o2)CCC1
InChIInChI=1S/C11H20N4O/c1-4-11(6-5-7-11)13-10-15-14-9(16-10)8(2)12-3/h8,12H,4-7H2,1-3H3,(H,13,15)
InChIKeyFSJVUZDNMKRQBI-UHFFFAOYSA-N
XLogP2.09
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylcyclobutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(1-ethylcyclobutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106964708) is N-(1-ethylcyclobutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(1-ethylcyclobutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(1-ethylcyclobutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCC1(Nc2nnc(C(C)NC)o2)CCC1.
What is the InChIKey of N-(1-ethylcyclobutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is FSJVUZDNMKRQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-11(6-5-7-11)13-10-15-14-9(16-10)8(2)12-3/h8,12H,4-7H2,1-3H3,(H,13,15).
What are the key properties of N-(1-ethylcyclobutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(1-ethylcyclobutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 224.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylcyclobutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).