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

C10H12N4O — CID 106754014

IUPAC1-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCc1cc(-c2nc(C(C)N)no2)ccn1
InChIInChI=1S/C10H12N4O/c1-6-5-8(3-4-12-6)10-13-9(7(2)11)14-15-10/h3-5,7H,11H2,1-2H3
InChIKeyBHBPYSGPJFBIQK-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.46
Rot. Bonds2

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

1-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 106754014) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID106754014
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCc1cc(-c2nc(C(C)N)no2)ccn1
InChIInChI=1S/C10H12N4O/c1-6-5-8(3-4-12-6)10-13-9(7(2)11)14-15-10/h3-5,7H,11H2,1-2H3
InChIKeyBHBPYSGPJFBIQK-UHFFFAOYSA-N
XLogP1.46
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 10375609
1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326439
1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326230
1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61323972
1-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 79683684
N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106754029
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61325615
1-[5-(4-butoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326232
2-(2-methyl-4-pyridinyl)-4-propan-2-yl-1,3-oxazole
CID 167038806
2-methyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325235
1-[5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 63049853
1-[5-(3-methyl-5-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 113396319

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 106754014) is 1-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine is Cc1cc(-c2nc(C(C)N)no2)ccn1.
What is the InChIKey of 1-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is BHBPYSGPJFBIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-6-5-8(3-4-12-6)10-13-9(7(2)11)14-15-10/h3-5,7H,11H2,1-2H3.
What are the key properties of 1-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine?
1-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 204.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 106754014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).