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

C11H14N4O — CID 62341028

IUPAC2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCc1cccnc1-c1nc(C(C)(C)N)no1
InChIInChI=1S/C11H14N4O/c1-7-5-4-6-13-8(7)9-14-10(15-16-9)11(2,3)12/h4-6H,12H2,1-3H3
InChIKeyALIVRJCLUHFBCD-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.63
Rot. Bonds2

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

2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 62341028) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID62341028
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCc1cccnc1-c1nc(C(C)(C)N)no1
InChIInChI=1S/C11H14N4O/c1-7-5-4-6-13-8(7)9-14-10(15-16-9)11(2,3)12/h4-6H,12H2,1-3H3
InChIKeyALIVRJCLUHFBCD-UHFFFAOYSA-N
XLogP1.63
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636499
3-methyl-5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 118391610
5-(3-methyl-2-pyridinyl)-3-[2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole
CID 125180484
2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]aniline
CID 62340328
2-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325497
2-amino-2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633379
2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63078570
2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325491
2-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63195138
2-[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61326285
2-[5-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 107525580
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104742918

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 62341028) is 2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is Cc1cccnc1-c1nc(C(C)(C)N)no1.
What is the InChIKey of 2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is ALIVRJCLUHFBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7-5-4-6-13-8(7)9-14-10(15-16-9)11(2,3)12/h4-6H,12H2,1-3H3.
What are the key properties of 2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 218.26 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 62341028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).