N-ethyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine

C13H23N3O2 — CID 65159843

IUPACN-ethyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(C2C(C)OC(C)C2C)o1
InChIInChI=1S/C13H23N3O2/c1-6-14-8(3)12-15-16-13(18-12)11-7(2)9(4)17-10(11)5/h7-11,14H,6H2,1-5H3
InChIKeyIWFAKRADWSDYPE-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.27
Rot. Bonds4

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

N-ethyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 65159843) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-ethyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID65159843
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-ethyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(C2C(C)OC(C)C2C)o1
InChIInChI=1S/C13H23N3O2/c1-6-14-8(3)12-15-16-13(18-12)11-7(2)9(4)17-10(11)5/h7-11,14H,6H2,1-5H3
InChIKeyIWFAKRADWSDYPE-UHFFFAOYSA-N
XLogP2.27
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 65159893
1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62164103
5-[1-(ethylamino)ethyl]-N-[(4-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960955
N-[1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62904834
N-ethyl-1-(5-octyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 65428734
N-ethyl-1-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62163225
1-[5-(3,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 106965329
5-[1-(ethylamino)ethyl]-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 107819579
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol
CID 106969645
1-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62163232
5-[1-(ethylamino)ethyl]-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961976
N-(1-cyclohexylethyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960760

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 65159843) is N-ethyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CCNC(C)c1nnc(C2C(C)OC(C)C2C)o1.
What is the InChIKey of N-ethyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is IWFAKRADWSDYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-6-14-8(3)12-15-16-13(18-12)11-7(2)9(4)17-10(11)5/h7-11,14H,6H2,1-5H3.
What are the key properties of N-ethyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-ethyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 253.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 65159843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).