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

C21H25N3O2 — CID 157084252

IUPACN-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCOc1ccc(C)cc1CN(C)C(C)c1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C21H25N3O2/c1-14-6-9-17(10-7-14)21-23-22-20(26-21)16(3)24(4)13-18-12-15(2)8-11-19(18)25-5/h6-12,16H,13H2,1-5H3
InChIKeyBIBVEHUHLQZKQQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.56
Rot. Bonds6

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

N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 157084252) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID157084252
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCOc1ccc(C)cc1CN(C)C(C)c1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C21H25N3O2/c1-14-6-9-17(10-7-14)21-23-22-20(26-21)16(3)24(4)13-18-12-15(2)8-11-19(18)25-5/h6-12,16H,13H2,1-5H3
InChIKeyBIBVEHUHLQZKQQ-UHFFFAOYSA-N
XLogP4.56
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 8805811
(1R)-N-methyl-N-[(2-methylphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 9450761
(1S)-N-methyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 41144748
(1R)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 8694692
(1S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 8681851
(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
CID 34875886
2-(3,4-dimethoxyphenyl)-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,4-oxadiazole
CID 55390132
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 138997237
2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide
CID 60542358
ethyl 2-[[(1S)-1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]acetate
CID 96541250
(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(furan-2-ylmethyl)-N-methylethanamine
CID 92785745
(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanamine
CID 40881264

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 157084252) is N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine is COc1ccc(C)cc1CN(C)C(C)c1nnc(-c2ccc(C)cc2)o1.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is BIBVEHUHLQZKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-6-9-17(10-7-14)21-23-22-20(26-21)16(3)24(4)13-18-12-15(2)8-11-19(18)25-5/h6-12,16H,13H2,1-5H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 351.45 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 157084252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).