2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide

C11H12N4O2 — CID 90978973

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1nc(CC(=O)NCc2cccnc2)no1
InChIInChI=1S/C11H12N4O2/c1-8-14-10(15-17-8)5-11(16)13-7-9-3-2-4-12-6-9/h2-4,6H,5,7H2,1H3,(H,13,16)
InChIKeyVKBDERQHAFJGAB-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.63
Rot. Bonds4

About 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 90978973) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID90978973
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1nc(CC(=O)NCc2cccnc2)no1
InChIInChI=1S/C11H12N4O2/c1-8-14-10(15-17-8)5-11(16)13-7-9-3-2-4-12-6-9/h2-4,6H,5,7H2,1H3,(H,13,16)
InChIKeyVKBDERQHAFJGAB-UHFFFAOYSA-N
XLogP0.63
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110496431
2-(1,2-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46612175
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
N-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 107911441
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-methyl-3-phenylpropyl)acetamide
CID 110608611
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide
CID 142612479
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34360937
N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947636
3-[2-(4-methylphenyl)sulfonylethyl]-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53133770

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 90978973) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide is Cc1nc(CC(=O)NCc2cccnc2)no1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is VKBDERQHAFJGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-8-14-10(15-17-8)5-11(16)13-7-9-3-2-4-12-6-9/h2-4,6H,5,7H2,1H3,(H,13,16).
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 232.24 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 90978973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).