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

C12H21N3O2 — CID 103557993

IUPAC1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(N)Cc1noc(CC2(OC)CCC2)n1
InChIInChI=1S/C12H21N3O2/c1-3-9(13)7-10-14-11(17-15-10)8-12(16-2)5-4-6-12/h9H,3-8,13H2,1-2H3
InChIKeySOEKUNHTSKXTIK-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.46
Rot. Bonds6

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

1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine (PubChem CID 103557993) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine.

Molecular Properties

Compound Name1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
PubChem CID103557993
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(N)Cc1noc(CC2(OC)CCC2)n1
InChIInChI=1S/C12H21N3O2/c1-3-9(13)7-10-14-11(17-15-10)8-12(16-2)5-4-6-12/h9H,3-8,13H2,1-2H3
InChIKeySOEKUNHTSKXTIK-UHFFFAOYSA-N
XLogP1.46
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.46
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]ethanamine
CID 103557972
1-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65137889
1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62647862
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62646611
2-[(1-methoxycyclobutyl)methyl]-4-propyl-1,3-oxazole-5-carboxylic acid
CID 103558549
[1-[[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81161030
1-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 113291056
5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-3-amine
CID 103558593
1-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62679022
1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62905897
1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350181
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine
CID 66229905

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine?
The IUPAC name of 1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine (CID 103557993) is 1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine.
What is the SMILES notation for 1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine?
The canonical SMILES for 1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine is CCC(N)Cc1noc(CC2(OC)CCC2)n1.
What is the InChIKey of 1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine?
The InChIKey is SOEKUNHTSKXTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-9(13)7-10-14-11(17-15-10)8-12(16-2)5-4-6-12/h9H,3-8,13H2,1-2H3.
What are the key properties of 1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine?
1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine has a molecular weight of 239.32 g/mol, XLogP of 1.46, 6 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]butan-2-amine is sourced from PubChem (CID 103557993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).