N-methyl-2-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine

C10H17N3O2 — CID 81327288

IUPACN-methyl-2-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNCCc1nnc(C2CCC(C)O2)o1
InChIInChI=1S/C10H17N3O2/c1-7-3-4-8(14-7)10-13-12-9(15-10)5-6-11-2/h7-8,11H,3-6H2,1-2H3
InChIKeyLWGWDWUKYTXLFJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.07
Rot. Bonds4

About N-methyl-2-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine

N-methyl-2-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 81327288) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-methyl-2-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID81327288
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-methyl-2-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNCCc1nnc(C2CCC(C)O2)o1
InChIInChI=1S/C10H17N3O2/c1-7-3-4-8(14-7)10-13-12-9(15-10)5-6-11-2/h7-8,11H,3-6H2,1-2H3
InChIKeyLWGWDWUKYTXLFJ-UHFFFAOYSA-N
XLogP1.07
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 81327288) is N-methyl-2-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CNCCc1nnc(C2CCC(C)O2)o1.
What is the InChIKey of N-methyl-2-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is LWGWDWUKYTXLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-3-4-8(14-7)10-13-12-9(15-10)5-6-11-2/h7-8,11H,3-6H2,1-2H3.
What are the key properties of N-methyl-2-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-methyl-2-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 211.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 81327288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).