2-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide

C22H16BrFN4O3 — CID 30849608

IUPAC2-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(Br)cc4)no3)c2=O)cc1F
InChIInChI=1S/C22H16BrFN4O3/c1-13-4-9-16(11-18(13)24)25-19(29)12-28-10-2-3-17(22(28)30)21-26-20(27-31-21)14-5-7-15(23)8-6-14/h2-11H,12H2,1H3,(H,25,29)
InChIKeyPTERPUPARJHNPL-UHFFFAOYSA-N
MW483.30 g/mol
LogP4.41
Rot. Bonds5

About 2-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide

2-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 30849608) has the molecular formula C22H16BrFN4O3 and a molecular weight of 483.30 g/mol. Its IUPAC name is 2-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID30849608
Molecular FormulaC22H16BrFN4O3
Molecular Weight483.30 g/mol
Exact Mass482.04
IUPAC Name2-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(Br)cc4)no3)c2=O)cc1F
InChIInChI=1S/C22H16BrFN4O3/c1-13-4-9-16(11-18(13)24)25-19(29)12-28-10-2-3-17(22(28)30)21-26-20(27-31-21)14-5-7-15(23)8-6-14/h2-11H,12H2,1H3,(H,25,29)
InChIKeyPTERPUPARJHNPL-UHFFFAOYSA-N
XLogP4.41
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.30
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide (CID 30849608) is 2-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(Br)cc4)no3)c2=O)cc1F.
What is the InChIKey of 2-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is PTERPUPARJHNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrFN4O3/c1-13-4-9-16(11-18(13)24)25-19(29)12-28-10-2-3-17(22(28)30)21-26-20(27-31-21)14-5-7-15(23)8-6-14/h2-11H,12H2,1H3,(H,25,29).
What are the key properties of 2-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide?
2-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 483.30 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 30849608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).