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

C10H17N3O2 — CID 103557972

IUPAC1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCOC1(Cc2nc(C(C)N)no2)CCC1
InChIInChI=1S/C10H17N3O2/c1-7(11)9-12-8(15-13-9)6-10(14-2)4-3-5-10/h7H,3-6,11H2,1-2H3
InChIKeyWFNZXIYAWNVTOD-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.20
Rot. Bonds4

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

1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 103557972) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID103557972
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCOC1(Cc2nc(C(C)N)no2)CCC1
InChIInChI=1S/C10H17N3O2/c1-7(11)9-12-8(15-13-9)6-10(14-2)4-3-5-10/h7H,3-6,11H2,1-2H3
InChIKeyWFNZXIYAWNVTOD-UHFFFAOYSA-N
XLogP1.20
TPSA74.17 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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 103557993
1-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62589330
1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 112603748
5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-3-amine
CID 103558593
1-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104880073
1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61325608
1-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61324180
1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61326226
1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 116743143
1-[[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
CID 116704758
5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116701311
1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116781414

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine (CID 103557972) is 1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine is COC1(Cc2nc(C(C)N)no2)CCC1.
What is the InChIKey of 1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is WFNZXIYAWNVTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(11)9-12-8(15-13-9)6-10(14-2)4-3-5-10/h7H,3-6,11H2,1-2H3.
What are the key properties of 1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine?
1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 211.26 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 103557972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).