N-[2-[[2-(2,4-dibromophenoxy)acetyl]amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide

C19H16Br2N4O4 — CID 17083184

IUPACN-[2-[[2-(2,4-dibromophenoxy)acetyl]amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(COc1ccc(Br)cc1Br)NCCNC(=O)c1nc(-c2ccccc2)no1
InChIInChI=1S/C19H16Br2N4O4/c20-13-6-7-15(14(21)10-13)28-11-16(26)22-8-9-23-18(27)19-24-17(25-29-19)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,22,26)(H,23,27)
InChIKeyUQGXWUQOMWTKIF-UHFFFAOYSA-N
MW524.17 g/mol
LogP3.19
Rot. Bonds8

About N-[2-[[2-(2,4-dibromophenoxy)acetyl]amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide

N-[2-[[2-(2,4-dibromophenoxy)acetyl]amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 17083184) has the molecular formula C19H16Br2N4O4 and a molecular weight of 524.17 g/mol. Its IUPAC name is N-[2-[[2-(2,4-dibromophenoxy)acetyl]amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2,4-dibromophenoxy)acetyl]amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID17083184
Molecular FormulaC19H16Br2N4O4
Molecular Weight524.17 g/mol
Exact Mass521.95
IUPAC NameN-[2-[[2-(2,4-dibromophenoxy)acetyl]amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(COc1ccc(Br)cc1Br)NCCNC(=O)c1nc(-c2ccccc2)no1
InChIInChI=1S/C19H16Br2N4O4/c20-13-6-7-15(14(21)10-13)28-11-16(26)22-8-9-23-18(27)19-24-17(25-29-19)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,22,26)(H,23,27)
InChIKeyUQGXWUQOMWTKIF-UHFFFAOYSA-N
XLogP3.19
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.17
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(4-bromophenoxy)acetyl]amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 17083178
N-[2-[(2-naphthalen-2-yloxyacetyl)amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 17083198
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 17083196
N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083706
N-[2-[[2-(3-chlorophenoxy)acetyl]amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 17083186
3-(4-methylphenyl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083485
3-(4-fluorophenyl)-N-[2-[(2-naphthalen-1-yloxyacetyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083918
3-(3-chlorophenyl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083697
N-[2-[[2-(4-bromophenoxy)acetyl]amino]ethyl]-3-(4-tert-butylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083627
N-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083877
3-(4-fluorophenyl)-N-[2-[(2-naphthalen-2-yloxyacetyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083919
N-[2-[2-(3-bromophenoxy)propanoylamino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 17083214

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,4-dibromophenoxy)acetyl]amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[2-[[2-(2,4-dibromophenoxy)acetyl]amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide (CID 17083184) is N-[2-[[2-(2,4-dibromophenoxy)acetyl]amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[2-[[2-(2,4-dibromophenoxy)acetyl]amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[2-[[2-(2,4-dibromophenoxy)acetyl]amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide is O=C(COc1ccc(Br)cc1Br)NCCNC(=O)c1nc(-c2ccccc2)no1.
What is the InChIKey of N-[2-[[2-(2,4-dibromophenoxy)acetyl]amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is UQGXWUQOMWTKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Br2N4O4/c20-13-6-7-15(14(21)10-13)28-11-16(26)22-8-9-23-18(27)19-24-17(25-29-19)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,22,26)(H,23,27).
What are the key properties of N-[2-[[2-(2,4-dibromophenoxy)acetyl]amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide?
N-[2-[[2-(2,4-dibromophenoxy)acetyl]amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 524.17 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,4-dibromophenoxy)acetyl]amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 17083184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).