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

C13H17N3O2 — CID 61325221

IUPAC1-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
SMILESCCCC(N)c1noc(-c2ccccc2OC)n1
InChIInChI=1S/C13H17N3O2/c1-3-6-10(14)12-15-13(18-16-12)9-7-4-5-8-11(9)17-2/h4-5,7-8,10H,3,6,14H2,1-2H3
InChIKeyBZOVUMWDXGICIF-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.55
Rot. Bonds5

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

1-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine (PubChem CID 61325221) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine.

Molecular Properties

Compound Name1-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
PubChem CID61325221
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
SMILESCCCC(N)c1noc(-c2ccccc2OC)n1
InChIInChI=1S/C13H17N3O2/c1-3-6-10(14)12-15-13(18-16-12)9-7-4-5-8-11(9)17-2/h4-5,7-8,10H,3,6,14H2,1-2H3
InChIKeyBZOVUMWDXGICIF-UHFFFAOYSA-N
XLogP2.55
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N',N'-diethyl-1-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635521
1-[5-(2,3-dimethylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61326456
1-[5-(2-bromo-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61325634
1-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633816
3-(1-chlorobutyl)-5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazole
CID 103095783
[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 16767461
1-[5-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61325629
1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61325011
5-(5-bromo-2-methoxyphenyl)-3-(1-chlorobutyl)-1,2,4-oxadiazole
CID 112742049
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61323785
1-[5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096494
1-[5-(1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61406670

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
The IUPAC name of 1-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine (CID 61325221) is 1-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine.
What is the SMILES notation for 1-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
The canonical SMILES for 1-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine is CCCC(N)c1noc(-c2ccccc2OC)n1.
What is the InChIKey of 1-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
The InChIKey is BZOVUMWDXGICIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-6-10(14)12-15-13(18-16-12)9-7-4-5-8-11(9)17-2/h4-5,7-8,10H,3,6,14H2,1-2H3.
What are the key properties of 1-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine?
1-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine has a molecular weight of 247.30 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine is sourced from PubChem (CID 61325221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).