ethyl 5-methyl-2-[6-(1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole-4-carboxylate

C15H13N3O4 — CID 10637863

IUPACethyl 5-methyl-2-[6-(1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccc(-c3ncco3)n2)oc1C
InChIInChI=1S/C15H13N3O4/c1-3-20-15(19)12-9(2)22-14(18-12)11-6-4-5-10(17-11)13-16-7-8-21-13/h4-8H,3H2,1-2H3
InChIKeyMEZOCWHLHQPXIF-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.88
Rot. Bonds4

About ethyl 5-methyl-2-[6-(1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole-4-carboxylate

ethyl 5-methyl-2-[6-(1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole-4-carboxylate (PubChem CID 10637863) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is ethyl 5-methyl-2-[6-(1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[6-(1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole-4-carboxylate
PubChem CID10637863
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Nameethyl 5-methyl-2-[6-(1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccc(-c3ncco3)n2)oc1C
InChIInChI=1S/C15H13N3O4/c1-3-20-15(19)12-9(2)22-14(18-12)11-6-4-5-10(17-11)13-16-7-8-21-13/h4-8H,3H2,1-2H3
InChIKeyMEZOCWHLHQPXIF-UHFFFAOYSA-N
XLogP2.88
TPSA91.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate
CID 86067764
ethyl 2-(2,5-dimethyl-1,3-oxazol-4-yl)-5-methyl-1,3-oxazole-4-carboxylate
CID 10911923
ethyl 2-pyridin-2-yl-5-pyridin-3-yl-1,3-oxazole-4-carboxylate
CID 102412779
2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 55310658
ethyl 5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylate
CID 122477403
ethyl 1,3-oxazole-2-carboxylate
CID 18465927
diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate
CID 10513471
ethyl 5-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole-4-carboxylate
CID 134942874
ethyl 2-[6-(1,3-oxazol-2-yl)naphthalen-2-yl]oxyacetate
CID 10447326
ethyl 2-(4-bromo-2-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylate
CID 142682771
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 46639103
[2-oxo-2-(4-phenylphenyl)ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727475

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[6-(1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-[6-(1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole-4-carboxylate (CID 10637863) is ethyl 5-methyl-2-[6-(1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-[6-(1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-[6-(1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2cccc(-c3ncco3)n2)oc1C.
What is the InChIKey of ethyl 5-methyl-2-[6-(1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole-4-carboxylate?
The InChIKey is MEZOCWHLHQPXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-3-20-15(19)12-9(2)22-14(18-12)11-6-4-5-10(17-11)13-16-7-8-21-13/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-2-[6-(1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole-4-carboxylate?
ethyl 5-methyl-2-[6-(1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole-4-carboxylate has a molecular weight of 299.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-[6-(1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 10637863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).