2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-fluorophenyl)acetamide

C24H18ClFN4O5 — CID 53091259

IUPAC2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c1-c1nc(-c2ccc3c(c2)OCO3)no1
InChIInChI=1S/C24H18ClFN4O5/c1-12-7-13(2)30(10-20(31)27-15-4-5-17(26)16(25)9-15)24(32)21(12)23-28-22(29-35-23)14-3-6-18-19(8-14)34-11-33-18/h3-9H,10-11H2,1-2H3,(H,27,31)
InChIKeyVIRITIHCQKDZFP-UHFFFAOYSA-N
MW496.88 g/mol
LogP4.34
Rot. Bonds5

About 2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-fluorophenyl)acetamide

2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 53091259) has the molecular formula C24H18ClFN4O5 and a molecular weight of 496.88 g/mol. Its IUPAC name is 2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID53091259
Molecular FormulaC24H18ClFN4O5
Molecular Weight496.88 g/mol
Exact Mass496.09
IUPAC Name2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c1-c1nc(-c2ccc3c(c2)OCO3)no1
InChIInChI=1S/C24H18ClFN4O5/c1-12-7-13(2)30(10-20(31)27-15-4-5-17(26)16(25)9-15)24(32)21(12)23-28-22(29-35-23)14-3-6-18-19(8-14)34-11-33-18/h3-9H,10-11H2,1-2H3,(H,27,31)
InChIKeyVIRITIHCQKDZFP-UHFFFAOYSA-N
XLogP4.34
TPSA108.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.88
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-fluorophenyl)acetamide with MolForge

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Related Compounds

N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 53091170
N-(3-acetylphenyl)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide
CID 53091181
N-(4-chloro-2-fluorophenyl)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide
CID 52910812
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-ethylphenyl)acetamide
CID 45283593
ethyl 4-[[2-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetyl]amino]benzoate
CID 53091233
2-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,4-difluorophenyl)acetamide
CID 53091235
N-(3-chloro-2-methylphenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 27371305
2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methylphenyl)acetamide
CID 53091158
2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
CID 53091216
N-(3,5-dimethoxyphenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 27371299
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 53367193
methyl 3-[[2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetyl]amino]thiophene-2-carboxylate
CID 27371335

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-fluorophenyl)acetamide (CID 53091259) is 2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-fluorophenyl)acetamide is Cc1cc(C)n(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c1-c1nc(-c2ccc3c(c2)OCO3)no1.
What is the InChIKey of 2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is VIRITIHCQKDZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4O5/c1-12-7-13(2)30(10-20(31)27-15-4-5-17(26)16(25)9-15)24(32)21(12)23-28-22(29-35-23)14-3-6-18-19(8-14)34-11-33-18/h3-9H,10-11H2,1-2H3,(H,27,31).
What are the key properties of 2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-fluorophenyl)acetamide?
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 496.88 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 53091259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).