1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

C20H19N3O2 — CID 42946170

IUPAC1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCC(c1cc2ccccc2o1)N(C)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C20H19N3O2/c1-14(18-12-16-10-6-7-11-17(16)24-18)23(2)13-19-21-20(22-25-19)15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3
InChIKeyYZSLAXTUIMTADG-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.68
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 42946170) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID42946170
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCC(c1cc2ccccc2o1)N(C)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C20H19N3O2/c1-14(18-12-16-10-6-7-11-17(16)24-18)23(2)13-19-21-20(22-25-19)15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3
InChIKeyYZSLAXTUIMTADG-UHFFFAOYSA-N
XLogP4.68
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethyl]benzenesulfonamide
CID 42918150
(1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
CID 94026757
N-[1-(1-benzofuran-2-yl)ethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 46588483
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-2-amine
CID 8593214
1-(1-benzofuran-2-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 86843175
4-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]benzonitrile
CID 39976766
(1S)-1-(2-chlorophenyl)-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 94421822
(1R)-1-(1,3-benzothiazol-2-yl)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylethanamine
CID 8804995
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 25313317
3,4-difluoro-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 86831668
N-(2-methoxyethyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 42376741
6-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione
CID 94020630

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 42946170) is 1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is CC(c1cc2ccccc2o1)N(C)Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is YZSLAXTUIMTADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14(18-12-16-10-6-7-11-17(16)24-18)23(2)13-19-21-20(22-25-19)15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 333.39 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 42946170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).