N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(2-methoxyphenyl)phenyl]methanamine

C24H23N3O2 — CID 16672060

IUPACN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(2-methoxyphenyl)phenyl]methanamine
SMILESCOc1ccccc1-c1cccc(CNCc2nc(Cc3ccccc3)no2)c1
InChIInChI=1S/C24H23N3O2/c1-28-22-13-6-5-12-21(22)20-11-7-10-19(14-20)16-25-17-24-26-23(27-29-24)15-18-8-3-2-4-9-18/h2-14,25H,15-17H2,1H3
InChIKeyGHPYQDGVQIKIHA-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.63
Rot. Bonds8

About N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(2-methoxyphenyl)phenyl]methanamine

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(2-methoxyphenyl)phenyl]methanamine (PubChem CID 16672060) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(2-methoxyphenyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(2-methoxyphenyl)phenyl]methanamine
PubChem CID16672060
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC NameN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(2-methoxyphenyl)phenyl]methanamine
SMILESCOc1ccccc1-c1cccc(CNCc2nc(Cc3ccccc3)no2)c1
InChIInChI=1S/C24H23N3O2/c1-28-22-13-6-5-12-21(22)20-11-7-10-19(14-20)16-25-17-24-26-23(27-29-24)15-18-8-3-2-4-9-18/h2-14,25H,15-17H2,1H3
InChIKeyGHPYQDGVQIKIHA-UHFFFAOYSA-N
XLogP4.63
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine
CID 43663035
N-[[3-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 54911742
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104760594
N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911743
N-[[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 79274026
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbut-2-en-1-amine
CID 106547122
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 106813128
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide
CID 43663077
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 72917523
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115359974
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62977426
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)methanamine
CID 62118457

Frequently Asked Questions

What is the IUPAC name of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(2-methoxyphenyl)phenyl]methanamine?
The IUPAC name of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(2-methoxyphenyl)phenyl]methanamine (CID 16672060) is N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(2-methoxyphenyl)phenyl]methanamine.
What is the SMILES notation for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(2-methoxyphenyl)phenyl]methanamine?
The canonical SMILES for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(2-methoxyphenyl)phenyl]methanamine is COc1ccccc1-c1cccc(CNCc2nc(Cc3ccccc3)no2)c1.
What is the InChIKey of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(2-methoxyphenyl)phenyl]methanamine?
The InChIKey is GHPYQDGVQIKIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-28-22-13-6-5-12-21(22)20-11-7-10-19(14-20)16-25-17-24-26-23(27-29-24)15-18-8-3-2-4-9-18/h2-14,25H,15-17H2,1H3.
What are the key properties of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(2-methoxyphenyl)phenyl]methanamine?
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(2-methoxyphenyl)phenyl]methanamine has a molecular weight of 385.47 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(2-methoxyphenyl)phenyl]methanamine is sourced from PubChem (CID 16672060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).