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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Related Compounds

N-(5-chloropyridin-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 4776161
N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 33328132
Ethyl 4-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}carbonyl)-5-methylisoxazole-3-carboxylate
CID 2774337
N-(5-chloro-2-pyridinyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445278
N-(5-chloro-2-pyridinyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492515
N-(5-chloro-2-pyridinyl)-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492796
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 27792026
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3583113
Ethyl 5-{[(5-chloropyridin-2-YL)carbamoyl]methyl}-4-oxo-4H,5H-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 46352823
N-(5-chloropyridin-2-yl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19589965
N-[4-[(2,6-dichlorobenzoyl)amino]-2-pyridinyl]-1,2-oxazole-3-carboxamide
CID 59618016
N-[6-amino-5-(2-chlorophenyl)pyrazin-2-yl]-1,2-oxazole-3-carboxamide
CID 67396749

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).