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

C23H19FN4O5S — CID 27371335

IUPACmethyl 3-[[2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccc(F)cc3)no2)c1=O
InChIInChI=1S/C23H19FN4O5S/c1-12-10-13(2)28(11-17(29)25-16-8-9-34-19(16)23(31)32-3)22(30)18(12)21-26-20(27-33-21)14-4-6-15(24)7-5-14/h4-10H,11H2,1-3H3,(H,25,29)
InChIKeyMRGUABUAZVQSMN-UHFFFAOYSA-N
MW482.49 g/mol
LogP3.81
Rot. Bonds6

About 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

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 (PubChem CID 27371335) has the molecular formula C23H19FN4O5S and a molecular weight of 482.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 3-[[2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetyl]amino]thiophene-2-carboxylate
PubChem CID27371335
Molecular FormulaC23H19FN4O5S
Molecular Weight482.49 g/mol
Exact Mass482.11
IUPAC Namemethyl 3-[[2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccc(F)cc3)no2)c1=O
InChIInChI=1S/C23H19FN4O5S/c1-12-10-13(2)28(11-17(29)25-16-8-9-34-19(16)23(31)32-3)22(30)18(12)21-26-20(27-33-21)14-4-6-15(24)7-5-14/h4-10H,11H2,1-3H3,(H,25,29)
InChIKeyMRGUABUAZVQSMN-UHFFFAOYSA-N
XLogP3.81
TPSA116.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(2-methylphenyl)acetamide
CID 53091158
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
N-(3,5-dimethoxyphenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 27371299
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
ethyl 3-[[2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetyl]amino]benzoate
CID 53091220
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-ethylphenyl)acetamide
CID 45283593
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
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-chloro-2-methylphenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
CID 27371305
methyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylate
CID 26705042
N-(3-acetylphenyl)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide
CID 53091181
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)c1sccc1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccc(F)cc3)no2)c1=O.
What is the InChIKey of 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?
The InChIKey is MRGUABUAZVQSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O5S/c1-12-10-13(2)28(11-17(29)25-16-8-9-34-19(16)23(31)32-3)22(30)18(12)21-26-20(27-33-21)14-4-6-15(24)7-5-14/h4-10H,11H2,1-3H3,(H,25,29).
What are the key properties of 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?
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 has a molecular weight of 482.49 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 27371335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).