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

C13H12BrFN4O2 — CID 104970898

IUPACN-(5-bromo-2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(Nc1cc(Br)ccc1F)c1noc(C2CCCN2)n1
InChIInChI=1S/C13H12BrFN4O2/c14-7-3-4-8(15)10(6-7)17-12(20)11-18-13(21-19-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,20)
InChIKeyHOVACCUSUSDCGK-UHFFFAOYSA-N
MW355.17 g/mol
LogP2.65
Rot. Bonds3

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

N-(5-bromo-2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104970898) has the molecular formula C13H12BrFN4O2 and a molecular weight of 355.17 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID104970898
Molecular FormulaC13H12BrFN4O2
Molecular Weight355.17 g/mol
Exact Mass354.01
IUPAC NameN-(5-bromo-2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(Nc1cc(Br)ccc1F)c1noc(C2CCCN2)n1
InChIInChI=1S/C13H12BrFN4O2/c14-7-3-4-8(15)10(6-7)17-12(20)11-18-13(21-19-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,20)
InChIKeyHOVACCUSUSDCGK-UHFFFAOYSA-N
XLogP2.65
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.17
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dibromophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742138
N-(2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970724
N-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970772
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-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970833

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 104970898) is N-(5-bromo-2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is O=C(Nc1cc(Br)ccc1F)c1noc(C2CCCN2)n1.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is HOVACCUSUSDCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN4O2/c14-7-3-4-8(15)10(6-7)17-12(20)11-18-13(21-19-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,20).
What are the key properties of N-(5-bromo-2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-(5-bromo-2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 355.17 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104970898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).