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

C20H22N4O2 — CID 47077686

IUPAC2-[2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccccc1NCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C20H22N4O2/c1-24(2)20(25)13-16-10-6-7-11-17(16)21-14-19-22-18(23-26-19)12-15-8-4-3-5-9-15/h3-11,21H,12-14H2,1-2H3
InChIKeySMJKMJVDRYJODH-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.90
Rot. Bonds7

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

2-[2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-N,N-dimethylacetamide (PubChem CID 47077686) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-N,N-dimethylacetamide
PubChem CID47077686
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccccc1NCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C20H22N4O2/c1-24(2)20(25)13-16-10-6-7-11-17(16)21-14-19-22-18(23-26-19)12-15-8-4-3-5-9-15/h3-11,21H,12-14H2,1-2H3
InChIKeySMJKMJVDRYJODH-UHFFFAOYSA-N
XLogP2.90
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-N,N-dimethylacetamide (CID 47077686) is 2-[2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccccc1NCc1nc(Cc2ccccc2)no1.
What is the InChIKey of 2-[2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-N,N-dimethylacetamide?
The InChIKey is SMJKMJVDRYJODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-24(2)20(25)13-16-10-6-7-11-17(16)21-14-19-22-18(23-26-19)12-15-8-4-3-5-9-15/h3-11,21H,12-14H2,1-2H3.
What are the key properties of 2-[2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-N,N-dimethylacetamide?
2-[2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-N,N-dimethylacetamide has a molecular weight of 350.42 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 47077686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).