N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine

C12H16N4O — CID 103901521

IUPACN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine
SMILESCc1noc(CCNC(C)c2ccccn2)n1
InChIInChI=1S/C12H16N4O/c1-9(11-5-3-4-7-14-11)13-8-6-12-15-10(2)16-17-12/h3-5,7,9,13H,6,8H2,1-2H3
InChIKeyNDILLXCTLSAFKB-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.67
Rot. Bonds5

About N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine (PubChem CID 103901521) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine
PubChem CID103901521
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine
SMILESCc1noc(CCNC(C)c2ccccn2)n1
InChIInChI=1S/C12H16N4O/c1-9(11-5-3-4-7-14-11)13-8-6-12-15-10(2)16-17-12/h3-5,7,9,13H,6,8H2,1-2H3
InChIKeyNDILLXCTLSAFKB-UHFFFAOYSA-N
XLogP1.67
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylbutan-2-amine
CID 97065414
1-(4-iodophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 103901575
1-(4-ethoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 103901530
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpropan-1-amine
CID 103901524
(1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine
CID 81402151
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103901506
N-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 113343837
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
1-(2,5-dichlorothiophen-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 113348433
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115889186
2-ethyl-N-[(1R)-1-pyridin-2-ylethyl]butan-1-amine
CID 28647872
3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 2772086

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine?
The IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine (CID 103901521) is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine is Cc1noc(CCNC(C)c2ccccn2)n1.
What is the InChIKey of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine?
The InChIKey is NDILLXCTLSAFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(11-5-3-4-7-14-11)13-8-6-12-15-10(2)16-17-12/h3-5,7,9,13H,6,8H2,1-2H3.
What are the key properties of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine?
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine has a molecular weight of 232.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 103901521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).