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

C23H21N3O2 — CID 110652871

IUPACN-benzyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
SMILESCOc1cccc(-c2nnc(CN(Cc3ccccc3)c3ccccc3)o2)c1
InChIInChI=1S/C23H21N3O2/c1-27-21-14-8-11-19(15-21)23-25-24-22(28-23)17-26(20-12-6-3-7-13-20)16-18-9-4-2-5-10-18/h2-15H,16-17H2,1H3
InChIKeyDZSUSVLKHJTRQV-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.95
Rot. Bonds7

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

N-benzyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline (PubChem CID 110652871) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-benzyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-benzyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
PubChem CID110652871
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-benzyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
SMILESCOc1cccc(-c2nnc(CN(Cc3ccccc3)c3ccccc3)o2)c1
InChIInChI=1S/C23H21N3O2/c1-27-21-14-8-11-19(15-21)23-25-24-22(28-23)17-26(20-12-6-3-7-13-20)16-18-9-4-2-5-10-18/h2-15H,16-17H2,1H3
InChIKeyDZSUSVLKHJTRQV-UHFFFAOYSA-N
XLogP4.95
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 2982833
N-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxyaniline
CID 55446419
N-benzyl-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxyaniline
CID 78826523
1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62139034
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 110652774
N-benzyl-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334876
2-(3-chloropropyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 39356122
N-ethyl-5-(3-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391942
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-3-ylmethanamine
CID 110652765
2-[(3-ethoxyphenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 110655825
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62136683
2-methoxy-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652841

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
The IUPAC name of N-benzyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline (CID 110652871) is N-benzyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline.
What is the SMILES notation for N-benzyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
The canonical SMILES for N-benzyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline is COc1cccc(-c2nnc(CN(Cc3ccccc3)c3ccccc3)o2)c1.
What is the InChIKey of N-benzyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
The InChIKey is DZSUSVLKHJTRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-27-21-14-8-11-19(15-21)23-25-24-22(28-23)17-26(20-12-6-3-7-13-20)16-18-9-4-2-5-10-18/h2-15H,16-17H2,1H3.
What are the key properties of N-benzyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
N-benzyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline has a molecular weight of 371.44 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline is sourced from PubChem (CID 110652871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).