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

C21H20FN3O2 — CID 78826570

IUPAC1-(2-ethyl-1-benzofuran-3-yl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine
SMILESCCc1oc2ccccc2c1CN(C)Cc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C21H20FN3O2/c1-3-18-17(16-6-4-5-7-19(16)26-18)12-25(2)13-20-23-24-21(27-20)14-8-10-15(22)11-9-14/h4-11H,3,12-13H2,1-2H3
InChIKeyMARFSVFAXLOQFD-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.82
Rot. Bonds6

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

1-(2-ethyl-1-benzofuran-3-yl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine (PubChem CID 78826570) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-(2-ethyl-1-benzofuran-3-yl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-ethyl-1-benzofuran-3-yl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine
PubChem CID78826570
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name1-(2-ethyl-1-benzofuran-3-yl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine
SMILESCCc1oc2ccccc2c1CN(C)Cc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C21H20FN3O2/c1-3-18-17(16-6-4-5-7-19(16)26-18)12-25(2)13-20-23-24-21(27-20)14-8-10-15(22)11-9-14/h4-11H,3,12-13H2,1-2H3
InChIKeyMARFSVFAXLOQFD-UHFFFAOYSA-N
XLogP4.82
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propan-2-ol
CID 62334129
N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride
CID 171326059
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-4-fluoro-N-methylaniline
CID 62435698
5-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
CID 84593385
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol
CID 115666845
(1R)-1-(4-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-phenylmethanamine
CID 30943877
2-(benzenesulfonyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylethanamine
CID 78819087
N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406
N,N-dimethyl-2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 34161725
1-(2-fluorophenyl)-N-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine
CID 78824184
1-(4-tert-butylphenyl)-N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanamine
CID 33182726
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1-benzofuran-3-yl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(2-ethyl-1-benzofuran-3-yl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine (CID 78826570) is 1-(2-ethyl-1-benzofuran-3-yl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(2-ethyl-1-benzofuran-3-yl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(2-ethyl-1-benzofuran-3-yl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine is CCc1oc2ccccc2c1CN(C)Cc1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of 1-(2-ethyl-1-benzofuran-3-yl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine?
The InChIKey is MARFSVFAXLOQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-3-18-17(16-6-4-5-7-19(16)26-18)12-25(2)13-20-23-24-21(27-20)14-8-10-15(22)11-9-14/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 1-(2-ethyl-1-benzofuran-3-yl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine?
1-(2-ethyl-1-benzofuran-3-yl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine has a molecular weight of 365.41 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1-benzofuran-3-yl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 78826570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).