N-(2,4-dibromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

C13H12Br2N4O2 — CID 102742138

IUPACN-(2,4-dibromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Br)c1noc(C2CCCN2)n1
InChIInChI=1S/C13H12Br2N4O2/c14-7-3-4-9(8(15)6-7)17-12(20)11-18-13(21-19-11)10-2-1-5-16-10/h3-4,6,10,16H,1-2,5H2,(H,17,20)
InChIKeySUAWAQHHVHWGMB-UHFFFAOYSA-N
MW416.07 g/mol
LogP3.27
Rot. Bonds3

About N-(2,4-dibromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

N-(2,4-dibromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102742138) has the molecular formula C13H12Br2N4O2 and a molecular weight of 416.07 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102742138
Molecular FormulaC13H12Br2N4O2
Molecular Weight416.07 g/mol
Exact Mass413.93
IUPAC NameN-(2,4-dibromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Br)c1noc(C2CCCN2)n1
InChIInChI=1S/C13H12Br2N4O2/c14-7-3-4-9(8(15)6-7)17-12(20)11-18-13(21-19-11)10-2-1-5-16-10/h3-4,6,10,16H,1-2,5H2,(H,17,20)
InChIKeySUAWAQHHVHWGMB-UHFFFAOYSA-N
XLogP3.27
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.07
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970898
N-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970772
N-(2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970724
N-(4-iodophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970742
N-(4-hydroxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971402
N-(3-chloro-2-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970725
N-(2-methylpyrazol-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970897
N-(2-methyl-4-pyridinyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971294
N-(4-methyl-2-pyridinyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971273
N-(4-hydroxy-3-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742448
N-cyclopentyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970760
N-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102790751

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(2,4-dibromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 102742138) is N-(2,4-dibromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(2,4-dibromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is O=C(Nc1ccc(Br)cc1Br)c1noc(C2CCCN2)n1.
What is the InChIKey of N-(2,4-dibromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is SUAWAQHHVHWGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N4O2/c14-7-3-4-9(8(15)6-7)17-12(20)11-18-13(21-19-11)10-2-1-5-16-10/h3-4,6,10,16H,1-2,5H2,(H,17,20).
What are the key properties of N-(2,4-dibromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-(2,4-dibromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 416.07 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102742138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).