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

C21H17N3O4S — CID 24591144

IUPACmethyl 5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)s1
InChIInChI=1S/C21H17N3O4S/c1-11-4-6-13(7-5-11)15-10-14(18-12(2)24-28-20(18)22-15)19(25)23-17-9-8-16(29-17)21(26)27-3/h4-10H,1-3H3,(H,23,25)
InChIKeyCAMYONGCRLWENZ-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.61
Rot. Bonds4

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

methyl 5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]thiophene-2-carboxylate (PubChem CID 24591144) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is methyl 5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]thiophene-2-carboxylate
PubChem CID24591144
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC Namemethyl 5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)s1
InChIInChI=1S/C21H17N3O4S/c1-11-4-6-13(7-5-11)15-10-14(18-12(2)24-28-20(18)22-15)19(25)23-17-9-8-16(29-17)21(26)27-3/h4-10H,1-3H3,(H,23,25)
InChIKeyCAMYONGCRLWENZ-UHFFFAOYSA-N
XLogP4.61
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

methyl 2,4-difluoro-5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]benzoate
CID 24660830
methyl 2-methyl-3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate
CID 24684252
methyl 2-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
CID 60621435
methyl 6-(4-chlorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 9120689
N-(2-acetylphenyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24604979
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
N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 95584725
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'-(2,5-dimethylfuran-3-carbonyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 43038235
S-[4-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529469
methyl 2-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 18276172

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]thiophene-2-carboxylate (CID 24591144) is methyl 5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]thiophene-2-carboxylate is COC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)s1.
What is the InChIKey of methyl 5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]thiophene-2-carboxylate?
The InChIKey is CAMYONGCRLWENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S/c1-11-4-6-13(7-5-11)15-10-14(18-12(2)24-28-20(18)22-15)19(25)23-17-9-8-16(29-17)21(26)27-3/h4-10H,1-3H3,(H,23,25).
What are the key properties of methyl 5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]thiophene-2-carboxylate?
methyl 5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]thiophene-2-carboxylate has a molecular weight of 407.45 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 24591144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).