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

C16H16N4O — CID 63839551

IUPAC2-[3-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
SMILESCc1ccnc(-c2noc(-c3cccc(CCN)c3)n2)c1
InChIInChI=1S/C16H16N4O/c1-11-6-8-18-14(9-11)15-19-16(21-20-15)13-4-2-3-12(10-13)5-7-17/h2-4,6,8-10H,5,7,17H2,1H3
InChIKeyOVQDPSYVMLDPHP-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.61
Rot. Bonds4

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

2-[3-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine (PubChem CID 63839551) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[3-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
PubChem CID63839551
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-[3-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
SMILESCc1ccnc(-c2noc(-c3cccc(CCN)c3)n2)c1
InChIInChI=1S/C16H16N4O/c1-11-6-8-18-14(9-11)15-19-16(21-20-15)13-4-2-3-12(10-13)5-7-17/h2-4,6,8-10H,5,7,17H2,1H3
InChIKeyOVQDPSYVMLDPHP-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 763855
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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The IUPAC name of 2-[3-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine (CID 63839551) is 2-[3-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine.
What is the SMILES notation for 2-[3-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The canonical SMILES for 2-[3-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine is Cc1ccnc(-c2noc(-c3cccc(CCN)c3)n2)c1.
What is the InChIKey of 2-[3-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The InChIKey is OVQDPSYVMLDPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-6-8-18-14(9-11)15-19-16(21-20-15)13-4-2-3-12(10-13)5-7-17/h2-4,6,8-10H,5,7,17H2,1H3.
What are the key properties of 2-[3-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
2-[3-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine has a molecular weight of 280.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine is sourced from PubChem (CID 63839551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).