methyl 5-chloro-2-(1,2-oxazole-3-carbonylamino)pyridine-4-carboxylate

C11H8ClN3O4 — CID 162357260

IUPACmethyl 5-chloro-2-(1,2-oxazole-3-carbonylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccon2)ncc1Cl
InChIInChI=1S/C11H8ClN3O4/c1-18-11(17)6-4-9(13-5-7(6)12)14-10(16)8-2-3-19-15-8/h2-5H,1H3,(H,13,14,16)
InChIKeyIAWRWWXWOAFNKK-UHFFFAOYSA-N
MW281.66 g/mol
LogP1.76
Rot. Bonds3

About methyl 5-chloro-2-(1,2-oxazole-3-carbonylamino)pyridine-4-carboxylate

methyl 5-chloro-2-(1,2-oxazole-3-carbonylamino)pyridine-4-carboxylate (PubChem CID 162357260) has the molecular formula C11H8ClN3O4 and a molecular weight of 281.66 g/mol. Its IUPAC name is methyl 5-chloro-2-(1,2-oxazole-3-carbonylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-2-(1,2-oxazole-3-carbonylamino)pyridine-4-carboxylate
PubChem CID162357260
Molecular FormulaC11H8ClN3O4
Molecular Weight281.66 g/mol
Exact Mass281.02
IUPAC Namemethyl 5-chloro-2-(1,2-oxazole-3-carbonylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccon2)ncc1Cl
InChIInChI=1S/C11H8ClN3O4/c1-18-11(17)6-4-9(13-5-7(6)12)14-10(16)8-2-3-19-15-8/h2-5H,1H3,(H,13,14,16)
InChIKeyIAWRWWXWOAFNKK-UHFFFAOYSA-N
XLogP1.76
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-(1,2-oxazole-3-carbonylamino)pyridine-4-carboxylate?
The IUPAC name of methyl 5-chloro-2-(1,2-oxazole-3-carbonylamino)pyridine-4-carboxylate (CID 162357260) is methyl 5-chloro-2-(1,2-oxazole-3-carbonylamino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-chloro-2-(1,2-oxazole-3-carbonylamino)pyridine-4-carboxylate?
The canonical SMILES for methyl 5-chloro-2-(1,2-oxazole-3-carbonylamino)pyridine-4-carboxylate is COC(=O)c1cc(NC(=O)c2ccon2)ncc1Cl.
What is the InChIKey of methyl 5-chloro-2-(1,2-oxazole-3-carbonylamino)pyridine-4-carboxylate?
The InChIKey is IAWRWWXWOAFNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O4/c1-18-11(17)6-4-9(13-5-7(6)12)14-10(16)8-2-3-19-15-8/h2-5H,1H3,(H,13,14,16).
What are the key properties of methyl 5-chloro-2-(1,2-oxazole-3-carbonylamino)pyridine-4-carboxylate?
methyl 5-chloro-2-(1,2-oxazole-3-carbonylamino)pyridine-4-carboxylate has a molecular weight of 281.66 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-(1,2-oxazole-3-carbonylamino)pyridine-4-carboxylate is sourced from PubChem (CID 162357260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).