(1S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine

C18H21N3O2S — CID 8805811

IUPAC(1S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCOc1ccc(C)cc1CN(C)[C@@H](C)c1nnc(-c2cccs2)o1
InChIInChI=1S/C18H21N3O2S/c1-12-7-8-15(22-4)14(10-12)11-21(3)13(2)17-19-20-18(23-17)16-6-5-9-24-16/h5-10,13H,11H2,1-4H3/t13-/m0/s1
InChIKeyZFHIYGMUKZVXLW-ZDUSSCGKSA-N
MW343.45 g/mol
LogP4.31
Rot. Bonds6

About (1S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine

(1S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 8805811) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is (1S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID8805811
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name(1S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCOc1ccc(C)cc1CN(C)[C@@H](C)c1nnc(-c2cccs2)o1
InChIInChI=1S/C18H21N3O2S/c1-12-7-8-15(22-4)14(10-12)11-21(3)13(2)17-19-20-18(23-17)16-6-5-9-24-16/h5-10,13H,11H2,1-4H3/t13-/m0/s1
InChIKeyZFHIYGMUKZVXLW-ZDUSSCGKSA-N
XLogP4.31
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 157084252
(1R)-N-[(2-chlorophenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9042861
(1S)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9046854
(1S)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9042506
(1S)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9055741
4-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]butan-2-ol
CID 111488736
(5-bromo-2-methoxyphenyl)methyl-methyl-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium
CID 9039750
N-methyl-4-[[methyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]benzamide
CID 9125681
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 17392897
N-methyl-1-thiophen-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 78827467
(1R)-N-[2-(4-fluorophenyl)ethyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 95157002
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(3-methoxy-4-methylphenyl)acetate
CID 55459291

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of (1S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine (CID 8805811) is (1S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for (1S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for (1S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine is COc1ccc(C)cc1CN(C)[C@@H](C)c1nnc(-c2cccs2)o1.
What is the InChIKey of (1S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is ZFHIYGMUKZVXLW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-7-8-15(22-4)14(10-12)11-21(3)13(2)17-19-20-18(23-17)16-6-5-9-24-16/h5-10,13H,11H2,1-4H3/t13-/m0/s1.
What are the key properties of (1S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
(1S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 343.45 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 8805811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).