methyl 2,4-difluoro-5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate

C23H17F2N3O4 — CID 24660830

IUPACmethyl 2,4-difluoro-5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)c(F)cc1F
InChIInChI=1S/C23H17F2N3O4/c1-11-4-6-13(7-5-11)18-9-15(20-12(2)28-32-22(20)27-18)21(29)26-19-8-14(23(30)31-3)16(24)10-17(19)25/h4-10H,1-3H3,(H,26,29)
InChIKeyWMQQRXFLTHCREO-UHFFFAOYSA-N
MW437.40 g/mol
LogP4.82
Rot. Bonds4

About methyl 2,4-difluoro-5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate

methyl 2,4-difluoro-5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate (PubChem CID 24660830) has the molecular formula C23H17F2N3O4 and a molecular weight of 437.40 g/mol. Its IUPAC name is methyl 2,4-difluoro-5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2,4-difluoro-5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate
PubChem CID24660830
Molecular FormulaC23H17F2N3O4
Molecular Weight437.40 g/mol
Exact Mass437.12
IUPAC Namemethyl 2,4-difluoro-5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)c(F)cc1F
InChIInChI=1S/C23H17F2N3O4/c1-11-4-6-13(7-5-11)18-9-15(20-12(2)28-32-22(20)27-18)21(29)26-19-8-14(23(30)31-3)16(24)10-17(19)25/h4-10H,1-3H3,(H,26,29)
InChIKeyWMQQRXFLTHCREO-UHFFFAOYSA-N
XLogP4.82
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2,4-difluoro-5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 6-(4-chlorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 9120689
methyl 2-methyl-3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate
CID 24684252
methyl 5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]thiophene-2-carboxylate
CID 24591144
N-(2-acetylphenyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24604979
N-(4-chlorophenyl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821854
methyl 2-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
CID 60621435
N-(3-acetamido-4-fluorophenyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24657821
N'-(2,5-dimethylfuran-3-carbonyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 43038235
N-(2-hydroxyethyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 110883739
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
6-(4-fluorophenyl)-3-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315000

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-difluoro-5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2,4-difluoro-5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate (CID 24660830) is methyl 2,4-difluoro-5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2,4-difluoro-5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2,4-difluoro-5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate is COC(=O)c1cc(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)c(F)cc1F.
What is the InChIKey of methyl 2,4-difluoro-5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate?
The InChIKey is WMQQRXFLTHCREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O4/c1-11-4-6-13(7-5-11)18-9-15(20-12(2)28-32-22(20)27-18)21(29)26-19-8-14(23(30)31-3)16(24)10-17(19)25/h4-10H,1-3H3,(H,26,29).
What are the key properties of methyl 2,4-difluoro-5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate?
methyl 2,4-difluoro-5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate has a molecular weight of 437.40 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-difluoro-5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 24660830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).