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

C12H22N4O2 — CID 114115371

IUPAC5-[1-(methylamino)ethyl]-N-[1-(oxan-4-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(NC(C)C2CCOCC2)o1
InChIInChI=1S/C12H22N4O2/c1-8(10-4-6-17-7-5-10)14-12-16-15-11(18-12)9(2)13-3/h8-10,13H,4-7H2,1-3H3,(H,14,16)
InChIKeyNWQSXFKHODEUDB-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.58
Rot. Bonds5

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

5-[1-(methylamino)ethyl]-N-[1-(oxan-4-yl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 114115371) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-[1-(methylamino)ethyl]-N-[1-(oxan-4-yl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(methylamino)ethyl]-N-[1-(oxan-4-yl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID114115371
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name5-[1-(methylamino)ethyl]-N-[1-(oxan-4-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(NC(C)C2CCOCC2)o1
InChIInChI=1S/C12H22N4O2/c1-8(10-4-6-17-7-5-10)14-12-16-15-11(18-12)9(2)13-3/h8-10,13H,4-7H2,1-3H3,(H,14,16)
InChIKeyNWQSXFKHODEUDB-UHFFFAOYSA-N
XLogP1.58
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-chloroethyl)-N-(1-cyclopropylethyl)-1,3,4-oxadiazol-2-amine
CID 106956662
N-(1-cyclohexylethyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960760
5-(1-aminoethyl)-N-(1-cyclobutylethyl)-1,3,4-oxadiazol-2-amine
CID 106965505
5-(1-chloroethyl)-N-(1-cyclohexylethyl)-1,3,4-oxadiazol-2-amine
CID 106957599
N-(1-cyclohexylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960756
5-[1-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965523
N-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967549
N-(2,2-dimethylcyclopropyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970394
5-[1-(methylamino)ethyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine
CID 106964569
5-[1-(methylamino)ethyl]-N-(3-methylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106968929
N-(1-ethylcyclobutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964708
N-methyl-1-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 63014214

Frequently Asked Questions

What is the IUPAC name of 5-[1-(methylamino)ethyl]-N-[1-(oxan-4-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(methylamino)ethyl]-N-[1-(oxan-4-yl)ethyl]-1,3,4-oxadiazol-2-amine (CID 114115371) is 5-[1-(methylamino)ethyl]-N-[1-(oxan-4-yl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(methylamino)ethyl]-N-[1-(oxan-4-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(methylamino)ethyl]-N-[1-(oxan-4-yl)ethyl]-1,3,4-oxadiazol-2-amine is CNC(C)c1nnc(NC(C)C2CCOCC2)o1.
What is the InChIKey of 5-[1-(methylamino)ethyl]-N-[1-(oxan-4-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is NWQSXFKHODEUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-8(10-4-6-17-7-5-10)14-12-16-15-11(18-12)9(2)13-3/h8-10,13H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 5-[1-(methylamino)ethyl]-N-[1-(oxan-4-yl)ethyl]-1,3,4-oxadiazol-2-amine?
5-[1-(methylamino)ethyl]-N-[1-(oxan-4-yl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 254.33 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methylamino)ethyl]-N-[1-(oxan-4-yl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 114115371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).