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

C20H20FN3O2 — CID 45240266

IUPAC1-(2,3-dihydro-1-benzofuran-2-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILESCN(Cc1nc(Cc2ccccc2F)no1)CC1Cc2ccccc2O1
InChIInChI=1S/C20H20FN3O2/c1-24(12-16-10-15-7-3-5-9-18(15)25-16)13-20-22-19(23-26-20)11-14-6-2-4-8-17(14)21/h2-9,16H,10-13H2,1H3
InChIKeyHUWXSBCDOWMXSN-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.23
Rot. Bonds6

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

1-(2,3-dihydro-1-benzofuran-2-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine (PubChem CID 45240266) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
PubChem CID45240266
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILESCN(Cc1nc(Cc2ccccc2F)no1)CC1Cc2ccccc2O1
InChIInChI=1S/C20H20FN3O2/c1-24(12-16-10-15-7-3-5-9-18(15)25-16)13-20-22-19(23-26-20)11-14-6-2-4-8-17(14)21/h2-9,16H,10-13H2,1H3
InChIKeyHUWXSBCDOWMXSN-UHFFFAOYSA-N
XLogP3.23
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine (CID 45240266) is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine is CN(Cc1nc(Cc2ccccc2F)no1)CC1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The InChIKey is HUWXSBCDOWMXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-24(12-16-10-15-7-3-5-9-18(15)25-16)13-20-22-19(23-26-20)11-14-6-2-4-8-17(14)21/h2-9,16H,10-13H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine has a molecular weight of 353.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 45240266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).