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

C15H14N4O — CID 63793365

IUPAC2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
SMILESNCCc1cccc(-c2nc(-c3ccncc3)no2)c1
InChIInChI=1S/C15H14N4O/c16-7-4-11-2-1-3-13(10-11)15-18-14(19-20-15)12-5-8-17-9-6-12/h1-3,5-6,8-10H,4,7,16H2
InChIKeyYRWZFSCDCJUJIF-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.30
Rot. Bonds4

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

2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine (PubChem CID 63793365) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
PubChem CID63793365
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
SMILESNCCc1cccc(-c2nc(-c3ccncc3)no2)c1
InChIInChI=1S/C15H14N4O/c16-7-4-11-2-1-3-13(10-11)15-18-14(19-20-15)12-5-8-17-9-6-12/h1-3,5-6,8-10H,4,7,16H2
InChIKeyYRWZFSCDCJUJIF-UHFFFAOYSA-N
XLogP2.30
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63795660
1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]propane-2-thiol
CID 143910223
2-[3-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63839551
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine
CID 170868647
2-[3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 104788751
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
CID 55237242
5-(3-phenylmethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 8778801
2-[3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63892975
[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 60894269
2-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanamine
CID 123768629
2-[3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63793713
2-[3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 102926840

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine (CID 63793365) is 2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine is NCCc1cccc(-c2nc(-c3ccncc3)no2)c1.
What is the InChIKey of 2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine?
The InChIKey is YRWZFSCDCJUJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-7-4-11-2-1-3-13(10-11)15-18-14(19-20-15)12-5-8-17-9-6-12/h1-3,5-6,8-10H,4,7,16H2.
What are the key properties of 2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine?
2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine has a molecular weight of 266.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine is sourced from PubChem (CID 63793365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).