N-ethyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine

C12H16N4O — CID 55124400

IUPACN-ethyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
SMILESCCNC(CC)c1nnc(-c2ccccn2)o1
InChIInChI=1S/C12H16N4O/c1-3-9(13-4-2)11-15-16-12(17-11)10-7-5-6-8-14-10/h5-9,13H,3-4H2,1-2H3
InChIKeyVFEJYZVOFVWVMV-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.19
Rot. Bonds5

About N-ethyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine

N-ethyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine (PubChem CID 55124400) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-ethyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
PubChem CID55124400
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-ethyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
SMILESCCNC(CC)c1nnc(-c2ccccn2)o1
InChIInChI=1S/C12H16N4O/c1-3-9(13-4-2)11-15-16-12(17-11)10-7-5-6-8-14-10/h5-9,13H,3-4H2,1-2H3
InChIKeyVFEJYZVOFVWVMV-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 62858258
N-ethyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63023235
N-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62858439
N-ethyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65216144
1-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 62857282
1-[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 63799994
1-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62859470
2-phenyl-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 82020898
N-ethyl-1-(3-pyridin-2-ylphenyl)propan-1-amine
CID 63678693
N-ethyl-1-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 55124679
2-[chloro(phenyl)methyl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 43245591
N-ethyl-1-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 114822856

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine (CID 55124400) is N-ethyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine is CCNC(CC)c1nnc(-c2ccccn2)o1.
What is the InChIKey of N-ethyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The InChIKey is VFEJYZVOFVWVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-9(13-4-2)11-15-16-12(17-11)10-7-5-6-8-14-10/h5-9,13H,3-4H2,1-2H3.
What are the key properties of N-ethyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine?
N-ethyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine has a molecular weight of 232.29 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine is sourced from PubChem (CID 55124400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).