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

C15H19N3O2S — CID 91836954

IUPAC1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCSCc1noc(CN(C)CC2Cc3ccccc3O2)n1
InChIInChI=1S/C15H19N3O2S/c1-18(9-15-16-14(10-21-2)17-20-15)8-12-7-11-5-3-4-6-13(11)19-12/h3-6,12H,7-10H2,1-2H3
InChIKeyJJSGQMKRVVARMP-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.37
Rot. Bonds6

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

1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (PubChem CID 91836954) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
PubChem CID91836954
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCSCc1noc(CN(C)CC2Cc3ccccc3O2)n1
InChIInChI=1S/C15H19N3O2S/c1-18(9-15-16-14(10-21-2)17-20-15)8-12-7-11-5-3-4-6-13(11)19-12/h3-6,12H,7-10H2,1-2H3
InChIKeyJJSGQMKRVVARMP-UHFFFAOYSA-N
XLogP2.37
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[5-[[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]benzoate
CID 45192773
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 91842487
1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methylmethanamine
CID 99956270
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573
N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-quinolin-3-ylmethanamine
CID 91839982
(2R)-3-[methyl-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propane-1,2-diol
CID 124755326
1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
CID 125176993
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 171908814
3-[[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]methyl]aniline
CID 66365541
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylmethanamine
CID 91843062
5-benzyl-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 56648390

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (CID 91836954) is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-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-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is CSCc1noc(CN(C)CC2Cc3ccccc3O2)n1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The InChIKey is JJSGQMKRVVARMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-18(9-15-16-14(10-21-2)17-20-15)8-12-7-11-5-3-4-6-13(11)19-12/h3-6,12H,7-10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine has a molecular weight of 305.40 g/mol, XLogP of 2.37, 6 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-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 91836954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).