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

C13H16N4O2 — CID 43663077

IUPAC2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide
SMILESCNC(=O)CNCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C13H16N4O2/c1-14-12(18)8-15-9-13-16-11(17-19-13)7-10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3,(H,14,18)
InChIKeyKEAMPYULOISXOR-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.50
Rot. Bonds6

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

2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide (PubChem CID 43663077) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide
PubChem CID43663077
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide
SMILESCNC(=O)CNCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C13H16N4O2/c1-14-12(18)8-15-9-13-16-11(17-19-13)7-10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3,(H,14,18)
InChIKeyKEAMPYULOISXOR-UHFFFAOYSA-N
XLogP0.50
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine
CID 43663035
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide
CID 61464371
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbut-2-en-1-amine
CID 106547122
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115359974
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 106813128
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104760594
2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide
CID 8772536
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)methanamine
CID 62118457
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
CID 47437849
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpentan-3-amine
CID 103746603
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine
CID 43663072
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylcyclopropan-1-amine
CID 113485424

Frequently Asked Questions

What is the IUPAC name of 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide?
The IUPAC name of 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide (CID 43663077) is 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide is CNC(=O)CNCc1nc(Cc2ccccc2)no1.
What is the InChIKey of 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide?
The InChIKey is KEAMPYULOISXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-14-12(18)8-15-9-13-16-11(17-19-13)7-10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3,(H,14,18).
What are the key properties of 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide?
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide has a molecular weight of 260.30 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide is sourced from PubChem (CID 43663077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).