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

C21H25N3O2 — CID 112815116

IUPACN-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-ethylphenyl)ethanamine
SMILESCCOc1ccc(-c2noc(CNC(C)c3ccc(CC)cc3)n2)cc1
InChIInChI=1S/C21H25N3O2/c1-4-16-6-8-17(9-7-16)15(3)22-14-20-23-21(24-26-20)18-10-12-19(13-11-18)25-5-2/h6-13,15,22H,4-5,14H2,1-3H3
InChIKeyBQDMMXPPHGQYER-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.55
Rot. Bonds8

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

N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-ethylphenyl)ethanamine (PubChem CID 112815116) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-ethylphenyl)ethanamine
PubChem CID112815116
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-ethylphenyl)ethanamine
SMILESCCOc1ccc(-c2noc(CNC(C)c3ccc(CC)cc3)n2)cc1
InChIInChI=1S/C21H25N3O2/c1-4-16-6-8-17(9-7-16)15(3)22-14-20-23-21(24-26-20)18-10-12-19(13-11-18)25-5-2/h6-13,15,22H,4-5,14H2,1-3H3
InChIKeyBQDMMXPPHGQYER-UHFFFAOYSA-N
XLogP4.55
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-ethylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2-fluorophenyl)ethanamine
CID 18088398
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropanamide
CID 56923225
N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 16566320
N,N-diethyl-4-[(1S)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]benzenesulfonamide
CID 39983192
5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 806936
4-ethoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 78815627
1-(4-ethoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 103901530
1-(4-ethoxyphenyl)-3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiourea
CID 100758860
1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 62345553
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-ethoxyphenoxy)acetate
CID 8522826
(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
CID 927372
N-[1-(4-ethoxyphenyl)ethyl]-4-ethylaniline
CID 43093553

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-ethylphenyl)ethanamine?
The IUPAC name of N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-ethylphenyl)ethanamine (CID 112815116) is N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-ethylphenyl)ethanamine is CCOc1ccc(-c2noc(CNC(C)c3ccc(CC)cc3)n2)cc1.
What is the InChIKey of N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-ethylphenyl)ethanamine?
The InChIKey is BQDMMXPPHGQYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-4-16-6-8-17(9-7-16)15(3)22-14-20-23-21(24-26-20)18-10-12-19(13-11-18)25-5-2/h6-13,15,22H,4-5,14H2,1-3H3.
What are the key properties of N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-ethylphenyl)ethanamine?
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-ethylphenyl)ethanamine has a molecular weight of 351.45 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 112815116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).