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

C16H16N4O — CID 62884718

IUPAC2-phenyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNCC(c1ccccc1)c1nc(Cc2cccnc2)no1
InChIInChI=1S/C16H16N4O/c17-10-14(13-6-2-1-3-7-13)16-19-15(20-21-16)9-12-5-4-8-18-11-12/h1-8,11,14H,9-10,17H2
InChIKeySJPZSKAJZPKSFN-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.15
Rot. Bonds5

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

2-phenyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 62884718) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-phenyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-phenyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID62884718
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-phenyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNCC(c1ccccc1)c1nc(Cc2cccnc2)no1
InChIInChI=1S/C16H16N4O/c17-10-14(13-6-2-1-3-7-13)16-19-15(20-21-16)9-12-5-4-8-18-11-12/h1-8,11,14H,9-10,17H2
InChIKeySJPZSKAJZPKSFN-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 62552583
5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 110169330
(R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine
CID 29272835
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 79076954
2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 62884711
2-methyl-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 103500486
5-(2-amino-1-phenylethyl)-1,2,4-oxadiazol-3-amine
CID 65416623
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
N-ethyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62853169
ethyl 2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79474835
2-phenyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62884547

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-phenyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 62884718) is 2-phenyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-phenyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-phenyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine is NCC(c1ccccc1)c1nc(Cc2cccnc2)no1.
What is the InChIKey of 2-phenyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is SJPZSKAJZPKSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-10-14(13-6-2-1-3-7-13)16-19-15(20-21-16)9-12-5-4-8-18-11-12/h1-8,11,14H,9-10,17H2.
What are the key properties of 2-phenyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-phenyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 280.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 62884718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).