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

C14H19N3O2 — CID 61324401

IUPAC1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-1-amine
SMILESCCCC(N)c1noc(Cc2cccc(OC)c2)n1
InChIInChI=1S/C14H19N3O2/c1-3-5-12(15)14-16-13(19-17-14)9-10-6-4-7-11(8-10)18-2/h4,6-8,12H,3,5,9,15H2,1-2H3
InChIKeyLODOPBMHKIMQKW-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.47
Rot. Bonds6

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

1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-1-amine (PubChem CID 61324401) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-1-amine.

Molecular Properties

Compound Name1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-1-amine
PubChem CID61324401
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-1-amine
SMILESCCCC(N)c1noc(Cc2cccc(OC)c2)n1
InChIInChI=1S/C14H19N3O2/c1-3-5-12(15)14-16-13(19-17-14)9-10-6-4-7-11(8-10)18-2/h4,6-8,12H,3,5,9,15H2,1-2H3
InChIKeyLODOPBMHKIMQKW-UHFFFAOYSA-N
XLogP2.47
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62653786
1-[5-[2-(3-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 62367459
1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61324398
2-ethoxy-1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633864
1-[5-(2-bromo-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61325634
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-propoxyethanamine
CID 104634245
1-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634676
3-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 43525273
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858568
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61353308
2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 61262732

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-1-amine?
The IUPAC name of 1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-1-amine (CID 61324401) is 1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-1-amine.
What is the SMILES notation for 1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-1-amine?
The canonical SMILES for 1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-1-amine is CCCC(N)c1noc(Cc2cccc(OC)c2)n1.
What is the InChIKey of 1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-1-amine?
The InChIKey is LODOPBMHKIMQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-5-12(15)14-16-13(19-17-14)9-10-6-4-7-11(8-10)18-2/h4,6-8,12H,3,5,9,15H2,1-2H3.
What are the key properties of 1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-1-amine?
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-1-amine has a molecular weight of 261.32 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-1-amine is sourced from PubChem (CID 61324401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).