[3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine

C15H20N4O3 — CID 117489651

IUPAC[3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOc1cc(-c2noc(CN)n2)ccc1OC1CCN(C)C1
InChIInChI=1S/C15H20N4O3/c1-19-6-5-11(9-19)21-12-4-3-10(7-13(12)20-2)15-17-14(8-16)22-18-15/h3-4,7,11H,5-6,8-9,16H2,1-2H3
InChIKeyXSDNHXKJQJSHGL-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.29
Rot. Bonds5

About [3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine

[3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117489651) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is [3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117489651
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name[3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOc1cc(-c2noc(CN)n2)ccc1OC1CCN(C)C1
InChIInChI=1S/C15H20N4O3/c1-19-6-5-11(9-19)21-12-4-3-10(7-13(12)20-2)15-17-14(8-16)22-18-15/h3-4,7,11H,5-6,8-9,16H2,1-2H3
InChIKeyXSDNHXKJQJSHGL-UHFFFAOYSA-N
XLogP1.29
TPSA86.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine with MolForge

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Related Compounds

[3-[3-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117465934
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
CID 115112713
[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107922458
[3-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117485620
4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine
CID 117465913
3-(4-methoxyphenyl)-5-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazole
CID 154771153
2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine
CID 117415732
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 26518855
(2R)-4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine
CID 33026906
1-cyclopropyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine;hydrochloride
CID 119948113
[3-(4-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82358630
3-(3,4-dimethoxyphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 2980841

Frequently Asked Questions

What is the IUPAC name of [3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 117489651) is [3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine is COc1cc(-c2noc(CN)n2)ccc1OC1CCN(C)C1.
What is the InChIKey of [3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is XSDNHXKJQJSHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-19-6-5-11(9-19)21-12-4-3-10(7-13(12)20-2)15-17-14(8-16)22-18-15/h3-4,7,11H,5-6,8-9,16H2,1-2H3.
What are the key properties of [3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 304.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117489651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).