1-[5-[3-(methoxymethyl)-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

C16H19N3O3 — CID 120866005

IUPAC1-[5-[3-(methoxymethyl)-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(-c2oc3ccccc3c2COC)n1
InChIInChI=1S/C16H19N3O3/c1-10(17-2)8-14-18-16(22-19-14)15-12(9-20-3)11-6-4-5-7-13(11)21-15/h4-7,10,17H,8-9H2,1-3H3
InChIKeyVEXVWPUHTUKLSC-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.78
Rot. Bonds6

About 1-[5-[3-(methoxymethyl)-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

1-[5-[3-(methoxymethyl)-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 120866005) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[5-[3-(methoxymethyl)-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-[3-(methoxymethyl)-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID120866005
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-[5-[3-(methoxymethyl)-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(-c2oc3ccccc3c2COC)n1
InChIInChI=1S/C16H19N3O3/c1-10(17-2)8-14-18-16(22-19-14)15-12(9-20-3)11-6-4-5-7-13(11)21-15/h4-7,10,17H,8-9H2,1-3H3
InChIKeyVEXVWPUHTUKLSC-UHFFFAOYSA-N
XLogP2.78
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(methoxymethyl)-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-[3-(methoxymethyl)-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 120866005) is 1-[5-[3-(methoxymethyl)-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-[3-(methoxymethyl)-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-[3-(methoxymethyl)-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CNC(C)Cc1noc(-c2oc3ccccc3c2COC)n1.
What is the InChIKey of 1-[5-[3-(methoxymethyl)-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is VEXVWPUHTUKLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10(17-2)8-14-18-16(22-19-14)15-12(9-20-3)11-6-4-5-7-13(11)21-15/h4-7,10,17H,8-9H2,1-3H3.
What are the key properties of 1-[5-[3-(methoxymethyl)-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-[3-(methoxymethyl)-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 301.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(methoxymethyl)-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 120866005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).