1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine

C20H21N3O3 — CID 45195912

IUPAC1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCN(Cc1nc(COc2ccccc2)no1)CC1Cc2ccccc2O1
InChIInChI=1S/C20H21N3O3/c1-23(12-17-11-15-7-5-6-10-18(15)25-17)13-20-21-19(22-26-20)14-24-16-8-3-2-4-9-16/h2-10,17H,11-14H2,1H3
InChIKeyBQUVLCHOVOSYKQ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.08
Rot. Bonds7

About 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine

1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (PubChem CID 45195912) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
PubChem CID45195912
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCN(Cc1nc(COc2ccccc2)no1)CC1Cc2ccccc2O1
InChIInChI=1S/C20H21N3O3/c1-23(12-17-11-15-7-5-6-10-18(15)25-17)13-20-21-19(22-26-20)14-24-16-8-3-2-4-9-16/h2-10,17H,11-14H2,1H3
InChIKeyBQUVLCHOVOSYKQ-UHFFFAOYSA-N
XLogP3.08
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (CID 45195912) is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is CN(Cc1nc(COc2ccccc2)no1)CC1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The InChIKey is BQUVLCHOVOSYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-23(12-17-11-15-7-5-6-10-18(15)25-17)13-20-21-19(22-26-20)14-24-16-8-3-2-4-9-16/h2-10,17H,11-14H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine has a molecular weight of 351.41 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 45195912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).