2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide

C20H14BrFN4O2 — CID 50925960

IUPAC2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(Cn1cccc1-c1nc(-c2ccc(Br)cc2)no1)Nc1ccccc1F
InChIInChI=1S/C20H14BrFN4O2/c21-14-9-7-13(8-10-14)19-24-20(28-25-19)17-6-3-11-26(17)12-18(27)23-16-5-2-1-4-15(16)22/h1-11H,12H2,(H,23,27)
InChIKeyAYLSSNUKKOFRSQ-UHFFFAOYSA-N
MW441.26 g/mol
LogP4.75
Rot. Bonds5

About 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide

2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 50925960) has the molecular formula C20H14BrFN4O2 and a molecular weight of 441.26 g/mol. Its IUPAC name is 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID50925960
Molecular FormulaC20H14BrFN4O2
Molecular Weight441.26 g/mol
Exact Mass440.03
IUPAC Name2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(Cn1cccc1-c1nc(-c2ccc(Br)cc2)no1)Nc1ccccc1F
InChIInChI=1S/C20H14BrFN4O2/c21-14-9-7-13(8-10-14)19-24-20(28-25-19)17-6-3-11-26(17)12-18(27)23-16-5-2-1-4-15(16)22/h1-11H,12H2,(H,23,27)
InChIKeyAYLSSNUKKOFRSQ-UHFFFAOYSA-N
XLogP4.75
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.26
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 50925942
N-(2-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75526974
N-(2-ethoxyphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
CID 75527043
N-(4-bromo-2-fluorophenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 27373566
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)propanamide
CID 100759410
N-benzyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
CID 75527035
N-(2-fluorophenyl)-2-[6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 50786798
N-(3-methoxyphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75526963
2-fluoro-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide
CID 91888381
2-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 30849607
2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetic acid
CID 94069111
2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 95181599

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide (CID 50925960) is 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide is O=C(Cn1cccc1-c1nc(-c2ccc(Br)cc2)no1)Nc1ccccc1F.
What is the InChIKey of 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is AYLSSNUKKOFRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrFN4O2/c21-14-9-7-13(8-10-14)19-24-20(28-25-19)17-6-3-11-26(17)12-18(27)23-16-5-2-1-4-15(16)22/h1-11H,12H2,(H,23,27).
What are the key properties of 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide?
2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 441.26 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 50925960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).