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

C22H19N3O — CID 2982833

IUPACN-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESc1ccc(CN(Cc2nnc(-c3ccccc3)o2)c2ccccc2)cc1
InChIInChI=1S/C22H19N3O/c1-4-10-18(11-5-1)16-25(20-14-8-3-9-15-20)17-21-23-24-22(26-21)19-12-6-2-7-13-19/h1-15H,16-17H2
InChIKeyOFVANNGZTKJBLV-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.94
Rot. Bonds6

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

N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline (PubChem CID 2982833) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
PubChem CID2982833
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC NameN-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESc1ccc(CN(Cc2nnc(-c3ccccc3)o2)c2ccccc2)cc1
InChIInChI=1S/C22H19N3O/c1-4-10-18(11-5-1)16-25(20-14-8-3-9-15-20)17-21-23-24-22(26-21)19-12-6-2-7-13-19/h1-15H,16-17H2
InChIKeyOFVANNGZTKJBLV-UHFFFAOYSA-N
XLogP4.94
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The IUPAC name of N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline (CID 2982833) is N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline.
What is the SMILES notation for N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The canonical SMILES for N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline is c1ccc(CN(Cc2nnc(-c3ccccc3)o2)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The InChIKey is OFVANNGZTKJBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-4-10-18(11-5-1)16-25(20-14-8-3-9-15-20)17-21-23-24-22(26-21)19-12-6-2-7-13-19/h1-15H,16-17H2.
What are the key properties of N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline has a molecular weight of 341.41 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline is sourced from PubChem (CID 2982833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).