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

C19H18N4O4 — CID 109178880

IUPACethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccnc(Nc3cc(C)on3)c2)cc1
InChIInChI=1S/C19H18N4O4/c1-3-26-19(25)13-4-6-15(7-5-13)21-18(24)14-8-9-20-16(11-14)22-17-10-12(2)27-23-17/h4-11H,3H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKeySLDLMLYAUCCEFR-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.55
Rot. Bonds6

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

ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate (PubChem CID 109178880) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate
PubChem CID109178880
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Nameethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccnc(Nc3cc(C)on3)c2)cc1
InChIInChI=1S/C19H18N4O4/c1-3-26-19(25)13-4-6-15(7-5-13)21-18(24)14-8-9-20-16(11-14)22-17-10-12(2)27-23-17/h4-11H,3H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKeySLDLMLYAUCCEFR-UHFFFAOYSA-N
XLogP3.55
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carbonyl]amino]benzoate
CID 109270516
ethyl 4-[[4-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 46283329
ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate
CID 109176152
ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate
CID 109176919
N-(4-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109177861
ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate
CID 109130228
ethyl 4-[[2-(2-methoxyanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177937
ethyl 4-[[2-(3-methoxyanilino)pyridine-4-carbonyl]amino]benzoate
CID 109178018
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109178731
ethyl 4-[[2-(cycloheptylamino)pyridine-4-carbonyl]amino]benzoate
CID 109175107
ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109200797
methyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate
CID 109178608

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate (CID 109178880) is ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccnc(Nc3cc(C)on3)c2)cc1.
What is the InChIKey of ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate?
The InChIKey is SLDLMLYAUCCEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-3-26-19(25)13-4-6-15(7-5-13)21-18(24)14-8-9-20-16(11-14)22-17-10-12(2)27-23-17/h4-11H,3H2,1-2H3,(H,21,24)(H,20,22,23).
What are the key properties of ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate?
ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate has a molecular weight of 366.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109178880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).