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

C24H21BrN4O3 — CID 51366711

IUPAC2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)Cn1cc(-c2nc(-c3ccc(Br)cc3)no2)ccc1=O)c1cccc(C)c1
InChIInChI=1S/C24H21BrN4O3/c1-3-29(20-6-4-5-16(2)13-20)22(31)15-28-14-18(9-12-21(28)30)24-26-23(27-32-24)17-7-10-19(25)11-8-17/h4-14H,3,15H2,1-2H3
InChIKeySIHCRVCJAWMBTF-UHFFFAOYSA-N
MW493.36 g/mol
LogP4.69
Rot. Bonds6

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

2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-ethyl-N-(3-methylphenyl)acetamide (PubChem CID 51366711) has the molecular formula C24H21BrN4O3 and a molecular weight of 493.36 g/mol. Its IUPAC name is 2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-ethyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-ethyl-N-(3-methylphenyl)acetamide
PubChem CID51366711
Molecular FormulaC24H21BrN4O3
Molecular Weight493.36 g/mol
Exact Mass492.08
IUPAC Name2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)Cn1cc(-c2nc(-c3ccc(Br)cc3)no2)ccc1=O)c1cccc(C)c1
InChIInChI=1S/C24H21BrN4O3/c1-3-29(20-6-4-5-16(2)13-20)22(31)15-28-14-18(9-12-21(28)30)24-26-23(27-32-24)17-7-10-19(25)11-8-17/h4-14H,3,15H2,1-2H3
InChIKeySIHCRVCJAWMBTF-UHFFFAOYSA-N
XLogP4.69
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.36
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 53132567
2-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 50761128
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 51366743
N-butyl-N-ethyl-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 53132565
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 51366710
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 50759805
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-cyanophenyl)acetamide
CID 51366745
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 53365723
N-(3,5-dimethoxyphenyl)-2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 51366790
N-ethyl-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide
CID 121063850
2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
CID 46393947
2-[5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
CID 51366791

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-ethyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-ethyl-N-(3-methylphenyl)acetamide (CID 51366711) is 2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-ethyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-ethyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-ethyl-N-(3-methylphenyl)acetamide is CCN(C(=O)Cn1cc(-c2nc(-c3ccc(Br)cc3)no2)ccc1=O)c1cccc(C)c1.
What is the InChIKey of 2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-ethyl-N-(3-methylphenyl)acetamide?
The InChIKey is SIHCRVCJAWMBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN4O3/c1-3-29(20-6-4-5-16(2)13-20)22(31)15-28-14-18(9-12-21(28)30)24-26-23(27-32-24)17-7-10-19(25)11-8-17/h4-14H,3,15H2,1-2H3.
What are the key properties of 2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-ethyl-N-(3-methylphenyl)acetamide?
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-ethyl-N-(3-methylphenyl)acetamide has a molecular weight of 493.36 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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-ethyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 51366711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).