ethyl 3-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]benzoate

C18H15N3O4 — CID 53051791

IUPACethyl 3-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cc(-c3cccnc3)on2)c1
InChIInChI=1S/C18H15N3O4/c1-2-24-18(23)12-5-3-7-14(9-12)20-17(22)15-10-16(25-21-15)13-6-4-8-19-11-13/h3-11H,2H2,1H3,(H,20,22)
InChIKeyGBMURZABNDJRML-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.17
Rot. Bonds5

About ethyl 3-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]benzoate

ethyl 3-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]benzoate (PubChem CID 53051791) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is ethyl 3-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]benzoate
PubChem CID53051791
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Nameethyl 3-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cc(-c3cccnc3)on2)c1
InChIInChI=1S/C18H15N3O4/c1-2-24-18(23)12-5-3-7-14(9-12)20-17(22)15-10-16(25-21-15)13-6-4-8-19-11-13/h3-11H,2H2,1H3,(H,20,22)
InChIKeyGBMURZABNDJRML-UHFFFAOYSA-N
XLogP3.17
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(pyridine-3-carbonylcarbamothioylamino)benzoate
CID 845490
N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 47048043
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
N-[3-(dimethylamino)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 53051794
N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986112
N-(3-piperidin-1-ylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 86832440
N-(2-methyl-1,3-benzoxazol-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 46491961
N-(3-ethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285951
N-[3-methyl-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 119049246
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 78884142
N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 55893140
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 55787366

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 3-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]benzoate (CID 53051791) is ethyl 3-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 3-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 3-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2cc(-c3cccnc3)on2)c1.
What is the InChIKey of ethyl 3-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]benzoate?
The InChIKey is GBMURZABNDJRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-2-24-18(23)12-5-3-7-14(9-12)20-17(22)15-10-16(25-21-15)13-6-4-8-19-11-13/h3-11H,2H2,1H3,(H,20,22).
What are the key properties of ethyl 3-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]benzoate?
ethyl 3-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]benzoate has a molecular weight of 337.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 53051791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).