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

C14H19N3O2 — CID 115533112

IUPAC2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCOc1ccccc1-c1noc(C(CC)CN)n1
InChIInChI=1S/C14H19N3O2/c1-3-10(9-15)14-16-13(17-19-14)11-7-5-6-8-12(11)18-4-2/h5-8,10H,3-4,9,15H2,1-2H3
InChIKeyMLMGUCXQEUIQCZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.59
Rot. Bonds6

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

2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 115533112) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID115533112
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCOc1ccccc1-c1noc(C(CC)CN)n1
InChIInChI=1S/C14H19N3O2/c1-3-10(9-15)14-16-13(17-19-14)11-7-5-6-8-12(11)18-4-2/h5-8,10H,3-4,9,15H2,1-2H3
InChIKeyMLMGUCXQEUIQCZ-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115534479
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222995
2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 81272939
2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222472
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 115534402
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 115534463
1-amino-3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 115532970
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 115279651
3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 115532985
2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 65221531
3-[3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride
CID 120839792
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 115533010

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of 2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 115533112) is 2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for 2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for 2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is CCOc1ccccc1-c1noc(C(CC)CN)n1.
What is the InChIKey of 2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is MLMGUCXQEUIQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-10(9-15)14-16-13(17-19-14)11-7-5-6-8-12(11)18-4-2/h5-8,10H,3-4,9,15H2,1-2H3.
What are the key properties of 2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 261.32 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 115533112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).