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

C13H18N4O2 — CID 62874487

IUPACN-ethyl-3-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCNCCCc1nnc(-c2cccnc2OC)o1
InChIInChI=1S/C13H18N4O2/c1-3-14-8-5-7-11-16-17-13(19-11)10-6-4-9-15-12(10)18-2/h4,6,9,14H,3,5,7-8H2,1-2H3
InChIKeyARMKUWHFMRWSDR-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.68
Rot. Bonds7

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

N-ethyl-3-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 62874487) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-ethyl-3-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID62874487
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-ethyl-3-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCNCCCc1nnc(-c2cccnc2OC)o1
InChIInChI=1S/C13H18N4O2/c1-3-14-8-5-7-11-16-17-13(19-11)10-6-4-9-15-12(10)18-2/h4,6,9,14H,3,5,7-8H2,1-2H3
InChIKeyARMKUWHFMRWSDR-UHFFFAOYSA-N
XLogP1.68
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 62137262
3-[5-[3-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-2-methylphenol
CID 82830169
N-ethyl-3-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 81124151
N-ethyl-2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62164993
3-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 55153256
3-[5-(2,3-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62136756
N-ethyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62138167
N-ethyl-3-[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65152299
2-(2-methoxy-3-pyridinyl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 99962939
N-ethyl-3-[5-(thiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65215589
N-ethyl-3-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63211469
2-methyl-N-[3-[5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine
CID 62340684

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-ethyl-3-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 62874487) is N-ethyl-3-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-ethyl-3-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CCNCCCc1nnc(-c2cccnc2OC)o1.
What is the InChIKey of N-ethyl-3-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is ARMKUWHFMRWSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-14-8-5-7-11-16-17-13(19-11)10-6-4-9-15-12(10)18-2/h4,6,9,14H,3,5,7-8H2,1-2H3.
What are the key properties of N-ethyl-3-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-ethyl-3-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 262.31 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 62874487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).