1-[5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C15H19N3O3 — CID 120864326

IUPAC1-[5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCOc1ccc(OC(C)c2nc(C3(N)CCC3)no2)cc1
InChIInChI=1S/C15H19N3O3/c1-10(20-12-6-4-11(19-2)5-7-12)13-17-14(18-21-13)15(16)8-3-9-15/h4-7,10H,3,8-9,16H2,1-2H3
InChIKeyMGZJSBBDRDAMKW-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.56
Rot. Bonds5

About 1-[5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120864326) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120864326
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-[5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCOc1ccc(OC(C)c2nc(C3(N)CCC3)no2)cc1
InChIInChI=1S/C15H19N3O3/c1-10(20-12-6-4-11(19-2)5-7-12)13-17-14(18-21-13)15(16)8-3-9-15/h4-7,10H,3,8-9,16H2,1-2H3
InChIKeyMGZJSBBDRDAMKW-UHFFFAOYSA-N
XLogP2.56
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120864326) is 1-[5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is COc1ccc(OC(C)c2nc(C3(N)CCC3)no2)cc1.
What is the InChIKey of 1-[5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is MGZJSBBDRDAMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(20-12-6-4-11(19-2)5-7-12)13-17-14(18-21-13)15(16)8-3-9-15/h4-7,10H,3,8-9,16H2,1-2H3.
What are the key properties of 1-[5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120864326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).