1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]ethanamine

C22H27N3O2 — CID 119138687

IUPAC1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]ethanamine
SMILESCOc1ccccc1-c1ccc(CNC(C)c2nc(C(C)(C)C)no2)cc1
InChIInChI=1S/C22H27N3O2/c1-15(20-24-21(25-27-20)22(2,3)4)23-14-16-10-12-17(13-11-16)18-8-6-7-9-19(18)26-5/h6-13,15,23H,14H2,1-5H3
InChIKeyIDIMXGYEEQNYIL-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.89
Rot. Bonds6

About 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]ethanamine

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]ethanamine (PubChem CID 119138687) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]ethanamine
PubChem CID119138687
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]ethanamine
SMILESCOc1ccccc1-c1ccc(CNC(C)c2nc(C(C)(C)C)no2)cc1
InChIInChI=1S/C22H27N3O2/c1-15(20-24-21(25-27-20)22(2,3)4)23-14-16-10-12-17(13-11-16)18-8-6-7-9-19(18)26-5/h6-13,15,23H,14H2,1-5H3
InChIKeyIDIMXGYEEQNYIL-UHFFFAOYSA-N
XLogP4.89
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]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

(E)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methoxyphenyl)prop-2-en-1-amine
CID 119138665
(2R)-2-[[4-(2-methoxyphenyl)phenyl]methylamino]propan-1-ol
CID 111466419
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]ethanamine
CID 119139113
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-3-nitrophenyl)methyl]ethanamine
CID 119138675
N-benzyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 130841233
[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-methoxyanilino)acetate
CID 95347851
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 119138698
3-tert-butyl-5-[(1S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 37201829
N-[(4-bromo-2-methylphenyl)methyl]-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 119128345
(2S)-2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 119817224
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]ethanamine
CID 55629821
N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911552

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]ethanamine (CID 119138687) is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]ethanamine is COc1ccccc1-c1ccc(CNC(C)c2nc(C(C)(C)C)no2)cc1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]ethanamine?
The InChIKey is IDIMXGYEEQNYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15(20-24-21(25-27-20)22(2,3)4)23-14-16-10-12-17(13-11-16)18-8-6-7-9-19(18)26-5/h6-13,15,23H,14H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]ethanamine?
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]ethanamine has a molecular weight of 365.48 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 119138687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).