methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate

C18H16N4O4 — CID 109178608

IUPACmethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccnc(Nc2cc(C)on2)c1
InChIInChI=1S/C18H16N4O4/c1-11-9-16(22-26-11)21-15-10-12(7-8-19-15)17(23)20-14-6-4-3-5-13(14)18(24)25-2/h3-10H,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyCCFLBKRQPIPDNL-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.16
Rot. Bonds5

About methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate

methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate (PubChem CID 109178608) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate
PubChem CID109178608
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Namemethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccnc(Nc2cc(C)on2)c1
InChIInChI=1S/C18H16N4O4/c1-11-9-16(22-26-11)21-15-10-12(7-8-19-15)17(23)20-14-6-4-3-5-13(14)18(24)25-2/h3-10H,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyCCFLBKRQPIPDNL-UHFFFAOYSA-N
XLogP3.16
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[[2-(2,6-dimethylanilino)pyridine-4-carbonyl]amino]benzoate
CID 109176780
methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carbonyl]amino]benzoate
CID 109318322
methyl 2-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate
CID 109129945
methyl 2-[[2-(4-fluoroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177338
methyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate
CID 109176912
methyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate
CID 109166947
N-(2,4-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109178937
N-(2,6-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109178961
methyl 2-[[2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 112878838
ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate
CID 109178880
methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109091033
N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109177861

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate (CID 109178608) is methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccnc(Nc2cc(C)on2)c1.
What is the InChIKey of methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate?
The InChIKey is CCFLBKRQPIPDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-11-9-16(22-26-11)21-15-10-12(7-8-19-15)17(23)20-14-6-4-3-5-13(14)18(24)25-2/h3-10H,1-2H3,(H,20,23)(H,19,21,22).
What are the key properties of methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate?
methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate has a molecular weight of 352.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109178608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).