6-(4-fluorophenyl)-3-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C24H19FN4O3 — CID 26127687

IUPAC6-(4-fluorophenyl)-3-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)c12
InChIInChI=1S/C24H19FN4O3/c1-14-22-19(13-20(27-24(22)32-28-14)15-4-6-16(25)7-5-15)23(31)26-17-8-10-18(11-9-17)29-12-2-3-21(29)30/h4-11,13H,2-3,12H2,1H3,(H,26,31)
InChIKeyPUBZZSUVJPBKNJ-UHFFFAOYSA-N
MW430.44 g/mol
LogP4.72
Rot. Bonds4

About 6-(4-fluorophenyl)-3-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(4-fluorophenyl)-3-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 26127687) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID26127687
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC Name6-(4-fluorophenyl)-3-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)c12
InChIInChI=1S/C24H19FN4O3/c1-14-22-19(13-20(27-24(22)32-28-14)15-4-6-16(25)7-5-15)23(31)26-17-8-10-18(11-9-17)29-12-2-3-21(29)30/h4-11,13H,2-3,12H2,1H3,(H,26,31)
InChIKeyPUBZZSUVJPBKNJ-UHFFFAOYSA-N
XLogP4.72
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-6-(5-methylthiophen-2-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24591120
N-(4-chlorophenyl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821854
N-[4-(2-amino-2-oxoethoxy)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55566896
6-(4-fluorophenyl)-3-methyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 99507210
N-[3-(2,2-dimethylpropanoylamino)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55532141
6-(4-fluorophenyl)-3-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315000
6-(4-fluorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134051444
[2-(4-methylanilino)-2-oxoethyl] 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485173
N-[3-(tert-butylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 26115917
6-(2,5-dimethylthiophen-3-yl)-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30043234
N-(2-amino-2-methylpropyl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119627629
3-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 17429991

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 26127687) is 6-(4-fluorophenyl)-3-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-3-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)c12.
What is the InChIKey of 6-(4-fluorophenyl)-3-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is PUBZZSUVJPBKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3/c1-14-22-19(13-20(27-24(22)32-28-14)15-4-6-16(25)7-5-15)23(31)26-17-8-10-18(11-9-17)29-12-2-3-21(29)30/h4-11,13H,2-3,12H2,1H3,(H,26,31).
What are the key properties of 6-(4-fluorophenyl)-3-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(4-fluorophenyl)-3-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 430.44 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 26127687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).