ethyl 2-pyridin-2-yl-5-pyridin-3-yl-1,3-oxazole-4-carboxylate

C16H13N3O3 — CID 102412779

IUPACethyl 2-pyridin-2-yl-5-pyridin-3-yl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccn2)oc1-c1cccnc1
InChIInChI=1S/C16H13N3O3/c1-2-21-16(20)13-14(11-6-5-8-17-10-11)22-15(19-13)12-7-3-4-9-18-12/h3-10H,2H2,1H3
InChIKeyLAYGPYMAFYSSPH-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.98
Rot. Bonds4

About ethyl 2-pyridin-2-yl-5-pyridin-3-yl-1,3-oxazole-4-carboxylate

ethyl 2-pyridin-2-yl-5-pyridin-3-yl-1,3-oxazole-4-carboxylate (PubChem CID 102412779) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is ethyl 2-pyridin-2-yl-5-pyridin-3-yl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-pyridin-2-yl-5-pyridin-3-yl-1,3-oxazole-4-carboxylate
PubChem CID102412779
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Nameethyl 2-pyridin-2-yl-5-pyridin-3-yl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccn2)oc1-c1cccnc1
InChIInChI=1S/C16H13N3O3/c1-2-21-16(20)13-14(11-6-5-8-17-10-11)22-15(19-13)12-7-3-4-9-18-12/h3-10H,2H2,1H3
InChIKeyLAYGPYMAFYSSPH-UHFFFAOYSA-N
XLogP2.98
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 70167506
ethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
CID 166154754
ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate;hydrobromide
CID 71756591
ethyl 5-propan-2-yl-2-pyridin-3-ylfuran-3-carboxylate
CID 134976381
ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 11108817
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966
ethyl 5-methyl-2-[6-(1,3-oxazol-2-yl)-2-pyridinyl]-1,3-oxazole-4-carboxylate
CID 10637863
ethyl 5-pyridin-3-yl-3-(trifluoromethyl)pyridine-2-carboxylate
CID 46317787
ethyl 2-[2-(4-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 134997790
ethyl 5-(4-pyridin-2-ylphenyl)-2H-triazole-4-carboxylate
CID 169399077
ethyl 3-pyridin-3-yl-1H-1,2,4-triazole-5-carboxylate
CID 63381274

Frequently Asked Questions

What is the IUPAC name of ethyl 2-pyridin-2-yl-5-pyridin-3-yl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-pyridin-2-yl-5-pyridin-3-yl-1,3-oxazole-4-carboxylate (CID 102412779) is ethyl 2-pyridin-2-yl-5-pyridin-3-yl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-pyridin-2-yl-5-pyridin-3-yl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-pyridin-2-yl-5-pyridin-3-yl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2ccccn2)oc1-c1cccnc1.
What is the InChIKey of ethyl 2-pyridin-2-yl-5-pyridin-3-yl-1,3-oxazole-4-carboxylate?
The InChIKey is LAYGPYMAFYSSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-2-21-16(20)13-14(11-6-5-8-17-10-11)22-15(19-13)12-7-3-4-9-18-12/h3-10H,2H2,1H3.
What are the key properties of ethyl 2-pyridin-2-yl-5-pyridin-3-yl-1,3-oxazole-4-carboxylate?
ethyl 2-pyridin-2-yl-5-pyridin-3-yl-1,3-oxazole-4-carboxylate has a molecular weight of 295.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pyridin-2-yl-5-pyridin-3-yl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 102412779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).