N-methyl-3-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine

C12H16N4O — CID 62139085

IUPACN-methyl-3-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCNCCCc1nnc(-c2cccc(C)n2)o1
InChIInChI=1S/C12H16N4O/c1-9-5-3-6-10(14-9)12-16-15-11(17-12)7-4-8-13-2/h3,5-6,13H,4,7-8H2,1-2H3
InChIKeyFXZPQXNMRWGYAP-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.59
Rot. Bonds5

About N-methyl-3-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine

N-methyl-3-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 62139085) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-methyl-3-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID62139085
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-methyl-3-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCNCCCc1nnc(-c2cccc(C)n2)o1
InChIInChI=1S/C12H16N4O/c1-9-5-3-6-10(14-9)12-16-15-11(17-12)7-4-8-13-2/h3,5-6,13H,4,7-8H2,1-2H3
InChIKeyFXZPQXNMRWGYAP-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62137188
2-(chloromethyl)-5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazole
CID 16789153
3-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62139447
3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62136730
3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62138343
3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 104672324
3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 55039266
N-methyl-3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62138338
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62139450
2-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 114026388
3-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 106689598
3-[5-(5-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 65309448

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 62139085) is N-methyl-3-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CNCCCc1nnc(-c2cccc(C)n2)o1.
What is the InChIKey of N-methyl-3-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is FXZPQXNMRWGYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-5-3-6-10(14-9)12-16-15-11(17-12)7-4-8-13-2/h3,5-6,13H,4,7-8H2,1-2H3.
What are the key properties of N-methyl-3-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-methyl-3-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 232.29 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 62139085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).