2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine

C16H16N4O — CID 63840491

IUPAC2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
SMILESCc1ccnc(-c2noc(CC(N)c3ccccc3)n2)c1
InChIInChI=1S/C16H16N4O/c1-11-7-8-18-14(9-11)16-19-15(21-20-16)10-13(17)12-5-3-2-4-6-12/h2-9,13H,10,17H2,1H3
InChIKeyHPLDUWVYBYPIGF-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.68
Rot. Bonds4

About 2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine

2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine (PubChem CID 63840491) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine.

Molecular Properties

Compound Name2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
PubChem CID63840491
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
SMILESCc1ccnc(-c2noc(CC(N)c3ccccc3)n2)c1
InChIInChI=1S/C16H16N4O/c1-11-7-8-18-14(9-11)16-19-15(21-20-16)10-13(17)12-5-3-2-4-6-12/h2-9,13H,10,17H2,1H3
InChIKeyHPLDUWVYBYPIGF-UHFFFAOYSA-N
XLogP2.68
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63839886
1-phenyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 115528982
[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 63840632
2-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80741141
N-ethyl-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63841054
2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 114876703
2-amino-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63841519
3-hydroxy-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524813
1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 63839212
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 43102262
2-methyl-N-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 63839477
N-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63839967

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
The IUPAC name of 2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine (CID 63840491) is 2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine.
What is the SMILES notation for 2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
The canonical SMILES for 2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine is Cc1ccnc(-c2noc(CC(N)c3ccccc3)n2)c1.
What is the InChIKey of 2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
The InChIKey is HPLDUWVYBYPIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-7-8-18-14(9-11)16-19-15(21-20-16)10-13(17)12-5-3-2-4-6-12/h2-9,13H,10,17H2,1H3.
What are the key properties of 2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine has a molecular weight of 280.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine is sourced from PubChem (CID 63840491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).