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

C15H21N3O2 — CID 63348720

IUPAC1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
SMILESCCOc1cccc(-c2noc(CC(CC)NC)n2)c1
InChIInChI=1S/C15H21N3O2/c1-4-12(16-3)10-14-17-15(18-20-14)11-7-6-8-13(9-11)19-5-2/h6-9,12,16H,4-5,10H2,1-3H3
InChIKeyOTQMOLXROLXIKY-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.68
Rot. Bonds7

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

1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine (PubChem CID 63348720) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
PubChem CID63348720
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
SMILESCCOc1cccc(-c2noc(CC(CC)NC)n2)c1
InChIInChI=1S/C15H21N3O2/c1-4-12(16-3)10-14-17-15(18-20-14)11-7-6-8-13(9-11)19-5-2/h6-9,12,16H,4-5,10H2,1-3H3
InChIKeyOTQMOLXROLXIKY-UHFFFAOYSA-N
XLogP2.68
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 63349041
5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole
CID 60984808
4-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63346128
1-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 115568616
1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63348390
1-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 114331208
3-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346032
2-[[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 53153654
2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 62818337
1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 103375352
1-amino-1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 43519296
3-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539968

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
The IUPAC name of 1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine (CID 63348720) is 1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine.
What is the SMILES notation for 1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
The canonical SMILES for 1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine is CCOc1cccc(-c2noc(CC(CC)NC)n2)c1.
What is the InChIKey of 1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
The InChIKey is OTQMOLXROLXIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-12(16-3)10-14-17-15(18-20-14)11-7-6-8-13(9-11)19-5-2/h6-9,12,16H,4-5,10H2,1-3H3.
What are the key properties of 1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine has a molecular weight of 275.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine is sourced from PubChem (CID 63348720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).