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

C12H16N4O3 — CID 105064395

IUPAC1-methoxy-2-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCOCC(C)(N)c1noc(-c2ccncc2OC)n1
InChIInChI=1S/C12H16N4O3/c1-12(13,7-17-2)11-15-10(19-16-11)8-4-5-14-6-9(8)18-3/h4-6H,7,13H2,1-3H3
InChIKeyFEZOLZQXDVNZBO-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.96
Rot. Bonds5

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

1-methoxy-2-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 105064395) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-methoxy-2-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-2-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID105064395
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC Name1-methoxy-2-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCOCC(C)(N)c1noc(-c2ccncc2OC)n1
InChIInChI=1S/C12H16N4O3/c1-12(13,7-17-2)11-15-10(19-16-11)8-4-5-14-6-9(8)18-3/h4-6H,7,13H2,1-3H3
InChIKeyFEZOLZQXDVNZBO-UHFFFAOYSA-N
XLogP0.96
TPSA96.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methoxy-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636304
2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 106689501
1-methoxy-2-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 113435625
2-[5-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636415
2-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636559
1-methoxy-2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636499
2-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61352493
2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636594
1-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 105064392
2-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325495
2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636453
2-[5-(5-iodothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 104636361

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-methoxy-2-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 105064395) is 1-methoxy-2-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-methoxy-2-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-methoxy-2-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is COCC(C)(N)c1noc(-c2ccncc2OC)n1.
What is the InChIKey of 1-methoxy-2-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is FEZOLZQXDVNZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-12(13,7-17-2)11-15-10(19-16-11)8-4-5-14-6-9(8)18-3/h4-6H,7,13H2,1-3H3.
What are the key properties of 1-methoxy-2-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-methoxy-2-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 264.29 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 105064395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).