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

C16H16N4O — CID 62551888

IUPAC1-phenyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNC(Cc1nc(Cc2ccncc2)no1)c1ccccc1
InChIInChI=1S/C16H16N4O/c17-14(13-4-2-1-3-5-13)11-16-19-15(20-21-16)10-12-6-8-18-9-7-12/h1-9,14H,10-11,17H2
InChIKeyVEHASPLJPXOBCS-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.30
Rot. Bonds5

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

1-phenyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 62551888) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-phenyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-phenyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID62551888
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-phenyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNC(Cc1nc(Cc2ccncc2)no1)c1ccccc1
InChIInChI=1S/C16H16N4O/c17-14(13-4-2-1-3-5-13)11-16-19-15(20-21-16)10-12-6-8-18-9-7-12/h1-9,14H,10-11,17H2
InChIKeyVEHASPLJPXOBCS-UHFFFAOYSA-N
XLogP2.30
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 62551887
(S)-phenyl-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 104898633
1-phenyl-2-pyridin-4-ylethanamine
CID 10465342
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 55137085
2-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanamine
CID 63347141
1-phenyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 115528982
(R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine
CID 29272835
[5-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 121210194
2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 114876703
N-ethyl-3,3-dimethyl-1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352564
1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol
CID 115078804
N-ethyl-1-methoxy-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63351993

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-phenyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 62551888) is 1-phenyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-phenyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-phenyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine is NC(Cc1nc(Cc2ccncc2)no1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is VEHASPLJPXOBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-14(13-4-2-1-3-5-13)11-16-19-15(20-21-16)10-12-6-8-18-9-7-12/h1-9,14H,10-11,17H2.
What are the key properties of 1-phenyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-phenyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 280.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 62551888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).