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

C13H16N4O2 — CID 107911441

IUPACN-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
SMILESCc1nc(CNCC(=O)NCc2ccccc2)no1
InChIInChI=1S/C13H16N4O2/c1-10-16-12(17-19-10)8-14-9-13(18)15-7-11-5-3-2-4-6-11/h2-6,14H,7-9H2,1H3,(H,15,18)
InChIKeyIBVSGQVGDOAYTA-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.78
Rot. Bonds6

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

N-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide (PubChem CID 107911441) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
PubChem CID107911441
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
SMILESCc1nc(CNCC(=O)NCc2ccccc2)no1
InChIInChI=1S/C13H16N4O2/c1-10-16-12(17-19-10)8-14-9-13(18)15-7-11-5-3-2-4-6-11/h2-6,14H,7-9H2,1H3,(H,15,18)
InChIKeyIBVSGQVGDOAYTA-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 106398495
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106398458
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 106398305
2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 113238378
N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 106398064
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 90978973
2-[4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]phenyl]propanoic acid
CID 106401631
N-benzyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetamide
CID 62475319
N-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306550
1-benzyl-1-(2-hydroxyethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 111507733
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide
CID 43663077
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-methyl-3-phenylpropyl)acetamide
CID 110608611

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide?
The IUPAC name of N-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide (CID 107911441) is N-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide is Cc1nc(CNCC(=O)NCc2ccccc2)no1.
What is the InChIKey of N-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide?
The InChIKey is IBVSGQVGDOAYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-10-16-12(17-19-10)8-14-9-13(18)15-7-11-5-3-2-4-6-11/h2-6,14H,7-9H2,1H3,(H,15,18).
What are the key properties of N-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide?
N-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide has a molecular weight of 260.30 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide is sourced from PubChem (CID 107911441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).