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

C13H18N4O — CID 63841516

IUPACN-ethyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCNC(C)(C)c1nc(-c2cc(C)ccn2)no1
InChIInChI=1S/C13H18N4O/c1-5-15-13(3,4)12-16-11(17-18-12)10-8-9(2)6-7-14-10/h6-8,15H,5H2,1-4H3
InChIKeyQDLHMRUASIXCOR-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.28
Rot. Bonds4

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

N-ethyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 63841516) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-ethyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID63841516
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-ethyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCNC(C)(C)c1nc(-c2cc(C)ccn2)no1
InChIInChI=1S/C13H18N4O/c1-5-15-13(3,4)12-16-11(17-18-12)10-8-9(2)6-7-14-10/h6-8,15H,5H2,1-4H3
InChIKeyQDLHMRUASIXCOR-UHFFFAOYSA-N
XLogP2.28
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79798166
N-ethyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62817614
2-methyl-N-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 63839477
1,1,1-trifluoro-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79798247
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 103442627
N-ethyl-2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 55123829
N-ethyl-2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 62818521
N-ethyl-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63841054
[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 63840632
N-ethyl-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62818520
2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 62818337
N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 62819214

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of N-ethyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 63841516) is N-ethyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for N-ethyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for N-ethyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CCNC(C)(C)c1nc(-c2cc(C)ccn2)no1.
What is the InChIKey of N-ethyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is QDLHMRUASIXCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-5-15-13(3,4)12-16-11(17-18-12)10-8-9(2)6-7-14-10/h6-8,15H,5H2,1-4H3.
What are the key properties of N-ethyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
N-ethyl-2-[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 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 63841516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).