N-(3-bromo-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide

C11H11BrN4O3 — CID 71863827

IUPACN-(3-bromo-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
SMILESCc1noc(COCC(=O)Nc2ncccc2Br)n1
InChIInChI=1S/C11H11BrN4O3/c1-7-14-10(19-16-7)6-18-5-9(17)15-11-8(12)3-2-4-13-11/h2-4H,5-6H2,1H3,(H,13,15,17)
InChIKeyXGFLIFRJAAQJBA-UHFFFAOYSA-N
MW327.14 g/mol
LogP1.69
Rot. Bonds5

About N-(3-bromo-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide

N-(3-bromo-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide (PubChem CID 71863827) has the molecular formula C11H11BrN4O3 and a molecular weight of 327.14 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
PubChem CID71863827
Molecular FormulaC11H11BrN4O3
Molecular Weight327.14 g/mol
Exact Mass326.00
IUPAC NameN-(3-bromo-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
SMILESCc1noc(COCC(=O)Nc2ncccc2Br)n1
InChIInChI=1S/C11H11BrN4O3/c1-7-14-10(19-16-7)6-18-5-9(17)15-11-8(12)3-2-4-13-11/h2-4H,5-6H2,1H3,(H,13,15,17)
InChIKeyXGFLIFRJAAQJBA-UHFFFAOYSA-N
XLogP1.69
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.14
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide (CID 71863827) is N-(3-bromo-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide is Cc1noc(COCC(=O)Nc2ncccc2Br)n1.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
The InChIKey is XGFLIFRJAAQJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O3/c1-7-14-10(19-16-7)6-18-5-9(17)15-11-8(12)3-2-4-13-11/h2-4H,5-6H2,1H3,(H,13,15,17).
What are the key properties of N-(3-bromo-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
N-(3-bromo-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide has a molecular weight of 327.14 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide is sourced from PubChem (CID 71863827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).