N-(2-bromophenyl)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide

C12H13BrN4O2 — CID 106400170

IUPACN-(2-bromophenyl)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide
SMILESO=C(CNCCc1ncno1)Nc1ccccc1Br
InChIInChI=1S/C12H13BrN4O2/c13-9-3-1-2-4-10(9)17-11(18)7-14-6-5-12-15-8-16-19-12/h1-4,8,14H,5-7H2,(H,17,18)
InChIKeyASHOLMADHDAHBS-UHFFFAOYSA-N
MW325.17 g/mol
LogP1.60
Rot. Bonds6

About N-(2-bromophenyl)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide

N-(2-bromophenyl)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide (PubChem CID 106400170) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide
PubChem CID106400170
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC NameN-(2-bromophenyl)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide
SMILESO=C(CNCCc1ncno1)Nc1ccccc1Br
InChIInChI=1S/C12H13BrN4O2/c13-9-3-1-2-4-10(9)17-11(18)7-14-6-5-12-15-8-16-19-12/h1-4,8,14H,5-7H2,(H,17,18)
InChIKeyASHOLMADHDAHBS-UHFFFAOYSA-N
XLogP1.60
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide (CID 106400170) is N-(2-bromophenyl)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide is O=C(CNCCc1ncno1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide?
The InChIKey is ASHOLMADHDAHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c13-9-3-1-2-4-10(9)17-11(18)7-14-6-5-12-15-8-16-19-12/h1-4,8,14H,5-7H2,(H,17,18).
What are the key properties of N-(2-bromophenyl)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide?
N-(2-bromophenyl)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide has a molecular weight of 325.17 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide is sourced from PubChem (CID 106400170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).