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

C23H19N3O4 — CID 24684252

IUPACmethyl 2-methyl-3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)c1C
InChIInChI=1S/C23H19N3O4/c1-13-16(23(28)29-3)10-7-11-18(13)24-21(27)17-12-19(15-8-5-4-6-9-15)25-22-20(17)14(2)26-30-22/h4-12H,1-3H3,(H,24,27)
InChIKeyZWUFVVZAPMQZCY-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.55
Rot. Bonds4

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

methyl 2-methyl-3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate (PubChem CID 24684252) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is methyl 2-methyl-3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate
PubChem CID24684252
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Namemethyl 2-methyl-3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)c1C
InChIInChI=1S/C23H19N3O4/c1-13-16(23(28)29-3)10-7-11-18(13)24-21(27)17-12-19(15-8-5-4-6-9-15)25-22-20(17)14(2)26-30-22/h4-12H,1-3H3,(H,24,27)
InChIKeyZWUFVVZAPMQZCY-UHFFFAOYSA-N
XLogP4.55
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(2-acetylphenyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24604979
methyl 2,4-difluoro-5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate
CID 24660830
methyl 6-(4-chlorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 9120689
3-methyl-6-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30884891
methyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 29091596
methyl 5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]thiophene-2-carboxylate
CID 24591144
N-(3-acetamido-4-fluorophenyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24657821
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 45491679
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30212740
2-hydroxyethyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 71943087
propyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46542963
N-(1,3-benzodioxol-5-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42475011

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-methyl-3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate (CID 24684252) is methyl 2-methyl-3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-methyl-3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-methyl-3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)c1C.
What is the InChIKey of methyl 2-methyl-3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate?
The InChIKey is ZWUFVVZAPMQZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-13-16(23(28)29-3)10-7-11-18(13)24-21(27)17-12-19(15-8-5-4-6-9-15)25-22-20(17)14(2)26-30-22/h4-12H,1-3H3,(H,24,27).
What are the key properties of methyl 2-methyl-3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate?
methyl 2-methyl-3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate has a molecular weight of 401.42 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate is sourced from PubChem (CID 24684252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).