N-ethyl-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

C13H18N4O — CID 63841054

IUPACN-ethyl-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCNC(C)Cc1nc(-c2cc(C)ccn2)no1
InChIInChI=1S/C13H18N4O/c1-4-14-10(3)8-12-16-13(17-18-12)11-7-9(2)5-6-15-11/h5-7,10,14H,4,8H2,1-3H3
InChIKeyFXGHLYDXKATYDT-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.98
Rot. Bonds5

About N-ethyl-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

N-ethyl-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 63841054) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-ethyl-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID63841054
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-ethyl-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCNC(C)Cc1nc(-c2cc(C)ccn2)no1
InChIInChI=1S/C13H18N4O/c1-4-14-10(3)8-12-16-13(17-18-12)11-7-9(2)5-6-15-11/h5-7,10,14H,4,8H2,1-3H3
InChIKeyFXGHLYDXKATYDT-UHFFFAOYSA-N
XLogP1.98
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.98
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
N-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63839967
[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]-1-phenylethanamine
CID 63840491
1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
CID 115531466
2-methyl-N-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 63839477
3-hydroxy-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524813
1-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 114329262
N-ethyl-3-methyl-1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 115531504
1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 62826780
N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 16640575
(2S)-N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 28923762

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of N-ethyl-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 63841054) is N-ethyl-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for N-ethyl-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for N-ethyl-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CCNC(C)Cc1nc(-c2cc(C)ccn2)no1.
What is the InChIKey of N-ethyl-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is FXGHLYDXKATYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-14-10(3)8-12-16-13(17-18-12)11-7-9(2)5-6-15-11/h5-7,10,14H,4,8H2,1-3H3.
What are the key properties of N-ethyl-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
N-ethyl-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 246.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 63841054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).