2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine

C16H15N3O2 — CID 23008142

IUPAC2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNCCc1nc(-c2cccc(Oc3ccccc3)c2)no1
InChIInChI=1S/C16H15N3O2/c17-10-9-15-18-16(19-21-15)12-5-4-8-14(11-12)20-13-6-2-1-3-7-13/h1-8,11H,9-10,17H2
InChIKeyYEWKNLFXGRNAQF-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.03
Rot. Bonds5

About 2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine

2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 23008142) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID23008142
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNCCc1nc(-c2cccc(Oc3ccccc3)c2)no1
InChIInChI=1S/C16H15N3O2/c17-10-9-15-18-16(19-21-15)12-5-4-8-14(11-12)20-13-6-2-1-3-7-13/h1-8,11H,9-10,17H2
InChIKeyYEWKNLFXGRNAQF-UHFFFAOYSA-N
XLogP3.03
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 2989886
3-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525276
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
[3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 43839720
5-butyl-3-[3-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]-1,2,4-oxadiazole
CID 133371723
5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 62717251
3-[3-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 97057682
5-(2-methylcyclopropyl)-3-(3-phenoxyphenyl)-1,2,4-oxadiazole
CID 139000879
[3-(3-cyclobutyloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117364923
4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-6-chloropyrimidin-2-amine
CID 47983084
6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 43152107
2-[[4,6-bis(3-phenoxyphenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(3-phenoxyphenyl)-1,3,5-triazine
CID 58299083

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 23008142) is 2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine is NCCc1nc(-c2cccc(Oc3ccccc3)c2)no1.
What is the InChIKey of 2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is YEWKNLFXGRNAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-10-9-15-18-16(19-21-15)12-5-4-8-14(11-12)20-13-6-2-1-3-7-13/h1-8,11H,9-10,17H2.
What are the key properties of 2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 281.31 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 23008142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).