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

C21H19N3O — CID 60572803

IUPACN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylnaphthalen-1-amine
SMILESCN(Cc1nc(Cc2ccccc2)no1)c1cccc2ccccc12
InChIInChI=1S/C21H19N3O/c1-24(19-13-7-11-17-10-5-6-12-18(17)19)15-21-22-20(23-25-21)14-16-8-3-2-4-9-16/h2-13H,14-15H2,1H3
InChIKeyAKEUBPARQNQCPK-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.45
Rot. Bonds5

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

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylnaphthalen-1-amine (PubChem CID 60572803) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylnaphthalen-1-amine
PubChem CID60572803
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC NameN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylnaphthalen-1-amine
SMILESCN(Cc1nc(Cc2ccccc2)no1)c1cccc2ccccc12
InChIInChI=1S/C21H19N3O/c1-24(19-13-7-11-17-10-5-6-12-18(17)19)15-21-22-20(23-25-21)14-16-8-3-2-4-9-16/h2-13H,14-15H2,1H3
InChIKeyAKEUBPARQNQCPK-UHFFFAOYSA-N
XLogP4.45
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylnaphthalen-1-amine?
The IUPAC name of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylnaphthalen-1-amine (CID 60572803) is N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylnaphthalen-1-amine.
What is the SMILES notation for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylnaphthalen-1-amine?
The canonical SMILES for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylnaphthalen-1-amine is CN(Cc1nc(Cc2ccccc2)no1)c1cccc2ccccc12.
What is the InChIKey of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylnaphthalen-1-amine?
The InChIKey is AKEUBPARQNQCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-24(19-13-7-11-17-10-5-6-12-18(17)19)15-21-22-20(23-25-21)14-16-8-3-2-4-9-16/h2-13H,14-15H2,1H3.
What are the key properties of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylnaphthalen-1-amine?
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylnaphthalen-1-amine has a molecular weight of 329.40 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylnaphthalen-1-amine is sourced from PubChem (CID 60572803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).