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

C23H19BrN4O4 — CID 51366743

IUPAC2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1cc(-c2nc(-c3ccc(Br)cc3)no2)ccc1=O
InChIInChI=1S/C23H19BrN4O4/c1-14-3-9-19(31-2)18(11-14)25-20(29)13-28-12-16(6-10-21(28)30)23-26-22(27-32-23)15-4-7-17(24)8-5-15/h3-12H,13H2,1-2H3,(H,25,29)
InChIKeyIYRCVNCVPBHSLN-UHFFFAOYSA-N
MW495.33 g/mol
LogP4.28
Rot. Bonds6

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

2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 51366743) has the molecular formula C23H19BrN4O4 and a molecular weight of 495.33 g/mol. Its IUPAC name is 2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID51366743
Molecular FormulaC23H19BrN4O4
Molecular Weight495.33 g/mol
Exact Mass494.06
IUPAC Name2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1cc(-c2nc(-c3ccc(Br)cc3)no2)ccc1=O
InChIInChI=1S/C23H19BrN4O4/c1-14-3-9-19(31-2)18(11-14)25-20(29)13-28-12-16(6-10-21(28)30)23-26-22(27-32-23)15-4-7-17(24)8-5-15/h3-12H,13H2,1-2H3,(H,25,29)
InChIKeyIYRCVNCVPBHSLN-UHFFFAOYSA-N
XLogP4.28
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.33
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 46393943
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 53365723
N-(2,5-dimethoxyphenyl)-2-[2-oxo-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 53137219
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 51366710
N-(3,5-dimethoxyphenyl)-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 51366790
N-(5-chloro-2-methoxyphenyl)-2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]acetamide
CID 53137285
N-(3-fluoro-4-methylphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 46393952
2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 50925942
N-(2-chloro-4-methylphenyl)-2-[2-oxo-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 53137247
2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
CID 46393947
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-cyanophenyl)acetamide
CID 51366745
2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2,5-dimethylphenyl)acetamide
CID 30849619

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide (CID 51366743) is 2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)Cn1cc(-c2nc(-c3ccc(Br)cc3)no2)ccc1=O.
What is the InChIKey of 2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is IYRCVNCVPBHSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN4O4/c1-14-3-9-19(31-2)18(11-14)25-20(29)13-28-12-16(6-10-21(28)30)23-26-22(27-32-23)15-4-7-17(24)8-5-15/h3-12H,13H2,1-2H3,(H,25,29).
What are the key properties of 2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 495.33 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 51366743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).